6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide

C221H246N28O20S3 — CID 160785495

IUPAC6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide
SMILESCC(C)(C)c1cc2c(cn1)Oc1cccnc1CC2.CC(C)(C)c1cc2c(cn1)Oc1ccncc1CC2.CC(C)(C)c1cc2c(cn1)Oc1cnccc1CC2.CC(C)(C)c1cc2c(cn1)Oc1ncccc1CC2.CC(C)(C)c1ccc2c(n1)CCc1cccnc1O2.CC(C)(C)c1ccc2c(n1)CCc1ccncc1O2.CC(C)(C)c1ccc2c(n1)CCc1cnccc1O2.CC(C)(C)c1ccc2c(n1)S(=O)(=O)Cc1ncccc1O2.CC(C)(C)c1cnc2c(c1)CCc1cccnc1O2.CC(C)(C)c1cnc2c(c1)CCc1ccncc1O2.CC(C)(C)c1cnc2c(c1)CCc1cnccc1O2.CC(C)(C)c1cnc2c(c1)CCc1ncccc1O2.CC(C)(C)c1cnc2c(c1)S(=O)(=O)Cc1cnccc1O2.CC(C)(C)c1cnc2c(c1)S(=O)(=O)Cc1ncccc1O2
InChIInChI=1S/11C16H18N2O.3C15H16N2O3S/c1-16(2,3)13-8-11-4-5-12-9-17-7-6-14(12)19-15(11)18-10-13;1-16(2,3)15-8-11-4-5-12-9-17-7-6-13(12)19-14(11)10-18-15;1-16(2,3)15-8-12-5-4-11-6-7-17-9-13(11)19-14(12)10-18-15;1-16(2,3)13-8-12-5-4-11-6-7-17-10-14(11)19-15(12)18-9-13;1-16(2,3)15-7-6-14-12(18-15)5-4-11-10-17-9-8-13(11)19-14;1-16(2,3)15-7-6-13-12(18-15)5-4-11-8-9-17-10-14(11)19-13;1-16(2,3)14-9-8-13-12(18-14)7-6-11-5-4-10-17-15(11)19-13;1-16(2,3)12-9-11-6-7-13-14(5-4-8-17-13)19-15(11)18-10-12;1-16(2,3)15-9-11-6-7-12-13(5-4-8-17-12)19-14(11)10-18-15;1-16(2,3)14-9-12-7-6-11-5-4-8-17-15(11)19-13(12)10-18-14;1-16(2,3)13-9-12-7-6-11-5-4-8-17-14(11)19-15(12)18-10-13;1-15(2,3)11-6-13-14(17-8-11)20-12-4-5-16-7-10(12)9-21(13,18)19;1-15(2,3)13-7-6-12-14(17-13)21(18,19)9-10-11(20-12)5-4-8-16-10;1-15(2,3)10-7-13-14(17-8-10)20-12-5-4-6-16-11(12)9-21(13,18)19/h6*6-10H,4-5H2,1-3H3;5*4-5,8-10H,6-7H2,1-3H3;3*4-8H,9H2,1-3H3
InChIKeySBDMFYYWTWFPLI-UHFFFAOYSA-N
MW3710.78 g/mol
LogP48.88
Rot. Bonds

About 6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide

6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide (PubChem CID 160785495) has the molecular formula C221H246N28O20S3 and a molecular weight of 3710.78 g/mol. Its IUPAC name is 6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide.

Molecular Properties

Compound Name6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide
PubChem CID160785495
Molecular FormulaC221H246N28O20S3
Molecular Weight3710.78 g/mol
Exact Mass3707.83
IUPAC Name6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide
SMILESCC(C)(C)c1cc2c(cn1)Oc1cccnc1CC2.CC(C)(C)c1cc2c(cn1)Oc1ccncc1CC2.CC(C)(C)c1cc2c(cn1)Oc1cnccc1CC2.CC(C)(C)c1cc2c(cn1)Oc1ncccc1CC2.CC(C)(C)c1ccc2c(n1)CCc1cccnc1O2.CC(C)(C)c1ccc2c(n1)CCc1ccncc1O2.CC(C)(C)c1ccc2c(n1)CCc1cnccc1O2.CC(C)(C)c1ccc2c(n1)S(=O)(=O)Cc1ncccc1O2.CC(C)(C)c1cnc2c(c1)CCc1cccnc1O2.CC(C)(C)c1cnc2c(c1)CCc1ccncc1O2.CC(C)(C)c1cnc2c(c1)CCc1cnccc1O2.CC(C)(C)c1cnc2c(c1)CCc1ncccc1O2.CC(C)(C)c1cnc2c(c1)S(=O)(=O)Cc1cnccc1O2.CC(C)(C)c1cnc2c(c1)S(=O)(=O)Cc1ncccc1O2
InChIInChI=1S/11C16H18N2O.3C15H16N2O3S/c1-16(2,3)13-8-11-4-5-12-9-17-7-6-14(12)19-15(11)18-10-13;1-16(2,3)15-8-11-4-5-12-9-17-7-6-13(12)19-14(11)10-18-15;1-16(2,3)15-8-12-5-4-11-6-7-17-9-13(11)19-14(12)10-18-15;1-16(2,3)13-8-12-5-4-11-6-7-17-10-14(11)19-15(12)18-9-13;1-16(2,3)15-7-6-14-12(18-15)5-4-11-10-17-9-8-13(11)19-14;1-16(2,3)15-7-6-13-12(18-15)5-4-11-8-9-17-10-14(11)19-13;1-16(2,3)14-9-8-13-12(18-14)7-6-11-5-4-10-17-15(11)19-13;1-16(2,3)12-9-11-6-7-13-14(5-4-8-17-13)19-15(11)18-10-12;1-16(2,3)15-9-11-6-7-12-13(5-4-8-17-12)19-14(11)10-18-15;1-16(2,3)14-9-12-7-6-11-5-4-8-17-15(11)19-13(12)10-18-14;1-16(2,3)13-9-12-7-6-11-5-4-8-17-14(11)19-15(12)18-10-13;1-15(2,3)11-6-13-14(17-8-11)20-12-4-5-16-7-10(12)9-21(13,18)19;1-15(2,3)13-7-6-12-14(17-13)21(18,19)9-10-11(20-12)5-4-8-16-10;1-15(2,3)10-7-13-14(17-8-10)20-12-5-4-6-16-11(12)9-21(13,18)19/h6*6-10H,4-5H2,1-3H3;5*4-5,8-10H,6-7H2,1-3H3;3*4-8H,9H2,1-3H3
InChIKeySBDMFYYWTWFPLI-UHFFFAOYSA-N
XLogP48.88
TPSA592.56 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003710.78
LogP ≤ 548.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide?
The IUPAC name of 6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide (CID 160785495) is 6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide.
What is the SMILES notation for 6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide?
The canonical SMILES for 6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide is CC(C)(C)c1cc2c(cn1)Oc1cccnc1CC2.CC(C)(C)c1cc2c(cn1)Oc1ccncc1CC2.CC(C)(C)c1cc2c(cn1)Oc1cnccc1CC2.CC(C)(C)c1cc2c(cn1)Oc1ncccc1CC2.CC(C)(C)c1ccc2c(n1)CCc1cccnc1O2.CC(C)(C)c1ccc2c(n1)CCc1ccncc1O2.CC(C)(C)c1ccc2c(n1)CCc1cnccc1O2.CC(C)(C)c1ccc2c(n1)S(=O)(=O)Cc1ncccc1O2.CC(C)(C)c1cnc2c(c1)CCc1cccnc1O2.CC(C)(C)c1cnc2c(c1)CCc1ccncc1O2.CC(C)(C)c1cnc2c(c1)CCc1cnccc1O2.CC(C)(C)c1cnc2c(c1)CCc1ncccc1O2.CC(C)(C)c1cnc2c(c1)S(=O)(=O)Cc1cnccc1O2.CC(C)(C)c1cnc2c(c1)S(=O)(=O)Cc1ncccc1O2.
What is the InChIKey of 6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide?
The InChIKey is SBDMFYYWTWFPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/11C16H18N2O.3C15H16N2O3S/c1-16(2,3)13-8-11-4-5-12-9-17-7-6-14(12)19-15(11)18-10-13;1-16(2,3)15-8-11-4-5-12-9-17-7-6-13(12)19-14(11)10-18-15;1-16(2,3)15-8-12-5-4-11-6-7-17-9-13(11)19-14(12)10-18-15;1-16(2,3)13-8-12-5-4-11-6-7-17-10-14(11)19-15(12)18-9-13;1-16(2,3)15-7-6-14-12(18-15)5-4-11-10-17-9-8-13(11)19-14;1-16(2,3)15-7-6-13-12(18-15)5-4-11-8-9-17-10-14(11)19-13;1-16(2,3)14-9-8-13-12(18-14)7-6-11-5-4-10-17-15(11)19-13;1-16(2,3)12-9-11-6-7-13-14(5-4-8-17-13)19-15(11)18-10-12;1-16(2,3)15-9-11-6-7-12-13(5-4-8-17-12)19-14(11)10-18-15;1-16(2,3)14-9-12-7-6-11-5-4-8-17-15(11)19-13(12)10-18-14;1-16(2,3)13-9-12-7-6-11-5-4-8-17-14(11)19-15(12)18-10-13;1-15(2,3)11-6-13-14(17-8-11)20-12-4-5-16-7-10(12)9-21(13,18)19;1-15(2,3)13-7-6-12-14(17-13)21(18,19)9-10-11(20-12)5-4-8-16-10;1-15(2,3)10-7-13-14(17-8-10)20-12-5-4-6-16-11(12)9-21(13,18)19/h6*6-10H,4-5H2,1-3H3;5*4-5,8-10H,6-7H2,1-3H3;3*4-8H,9H2,1-3H3.
What are the key properties of 6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide?
6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide has a molecular weight of 3710.78 g/mol, XLogP of 48.88, 0 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-4,15-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;6-tert-butyl-2-oxa-5,14-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene;13-tert-butyl-2-oxa-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-4,14-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;13-tert-butyl-2-oxa-5,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;13-tert-butyl-2-oxa-6,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;6-tert-butyl-2-oxa-9λ6-thia-4,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-4,13-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide;6-tert-butyl-2-oxa-9λ6-thia-7,12-diazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 9,9-dioxide is sourced from PubChem (CID 160785495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).