N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine

C94H107N21O4S6 — CID 160923189

IUPACN-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
SMILESCC(=O)NC1=NCc2c1sc1nc(C)cc(C)c21.Cc1cc(C)c2c(n1)sc1c(C)nn(C(=O)OC(C)(C)C)c12.Cc1cc(C)c2c(n1)sc1c(NC(C)C)nn(C)c12.Cc1cc(C)c2c(n1)sc1c(NCc3ccccc3)nn(C)c12.Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)nn(C)c12.Cc1cc(C)c2c3c(sc2n1)C(NCCC(C)(C)C)=NC3
InChIInChI=1S/C18H18N4S.C17H23N3S.C16H16N4OS.C16H19N3O2S.C14H18N4S.C13H13N3OS/c1-11-9-12(2)20-18-14(11)15-16(23-18)17(21-22(15)3)19-10-13-7-5-4-6-8-13;1-10-8-11(2)20-16-13(10)12-9-19-15(14(12)21-16)18-7-6-17(3,4)5;1-9-7-10(2)18-16-12(9)13-14(22-16)15(19-20(13)3)17-8-11-5-4-6-21-11;1-8-7-9(2)17-14-11(8)12-13(22-14)10(3)18-19(12)15(20)21-16(4,5)6;1-7(2)15-13-12-11(18(5)17-13)10-8(3)6-9(4)16-14(10)19-12;1-6-4-7(2)15-13-10(6)9-5-14-12(11(9)18-13)16-8(3)17/h4-9H,10H2,1-3H3,(H,19,21);8H,6-7,9H2,1-5H3,(H,18,19);4-7H,8H2,1-3H3,(H,17,19);7H,1-6H3;6-7H,1-5H3,(H,15,17);4H,5H2,1-3H3,(H,14,16,17)
InChIKeySSHJGLRYVTUDIV-UHFFFAOYSA-N
MW1787.43 g/mol
LogP22.90
Rot. Bonds10

About N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine

N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine (PubChem CID 160923189) has the molecular formula C94H107N21O4S6 and a molecular weight of 1787.43 g/mol. Its IUPAC name is N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine.

Molecular Properties

Compound NameN-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
PubChem CID160923189
Molecular FormulaC94H107N21O4S6
Molecular Weight1787.43 g/mol
Exact Mass1785.71
IUPAC NameN-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
SMILESCC(=O)NC1=NCc2c1sc1nc(C)cc(C)c21.Cc1cc(C)c2c(n1)sc1c(C)nn(C(=O)OC(C)(C)C)c12.Cc1cc(C)c2c(n1)sc1c(NC(C)C)nn(C)c12.Cc1cc(C)c2c(n1)sc1c(NCc3ccccc3)nn(C)c12.Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)nn(C)c12.Cc1cc(C)c2c3c(sc2n1)C(NCCC(C)(C)C)=NC3
InChIInChI=1S/C18H18N4S.C17H23N3S.C16H16N4OS.C16H19N3O2S.C14H18N4S.C13H13N3OS/c1-11-9-12(2)20-18-14(11)15-16(23-18)17(21-22(15)3)19-10-13-7-5-4-6-8-13;1-10-8-11(2)20-16-13(10)12-9-19-15(14(12)21-16)18-7-6-17(3,4)5;1-9-7-10(2)18-16-12(9)13-14(22-16)15(19-20(13)3)17-8-11-5-4-6-21-11;1-8-7-9(2)17-14-11(8)12-13(22-14)10(3)18-19(12)15(20)21-16(4,5)6;1-7(2)15-13-12-11(18(5)17-13)10-8(3)6-9(4)16-14(10)19-12;1-6-4-7(2)15-13-10(6)9-5-14-12(11(9)18-13)16-8(3)17/h4-9H,10H2,1-3H3,(H,19,21);8H,6-7,9H2,1-5H3,(H,18,19);4-7H,8H2,1-3H3,(H,17,19);7H,1-6H3;6-7H,1-5H3,(H,15,17);4H,5H2,1-3H3,(H,14,16,17)
InChIKeySSHJGLRYVTUDIV-UHFFFAOYSA-N
XLogP22.90
TPSA290.00 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001787.43
LogP ≤ 522.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine?
The IUPAC name of N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine (CID 160923189) is N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine.
What is the SMILES notation for N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine?
The canonical SMILES for N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine is CC(=O)NC1=NCc2c1sc1nc(C)cc(C)c21.Cc1cc(C)c2c(n1)sc1c(C)nn(C(=O)OC(C)(C)C)c12.Cc1cc(C)c2c(n1)sc1c(NC(C)C)nn(C)c12.Cc1cc(C)c2c(n1)sc1c(NCc3ccccc3)nn(C)c12.Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)nn(C)c12.Cc1cc(C)c2c3c(sc2n1)C(NCCC(C)(C)C)=NC3.
What is the InChIKey of N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine?
The InChIKey is SSHJGLRYVTUDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S.C17H23N3S.C16H16N4OS.C16H19N3O2S.C14H18N4S.C13H13N3OS/c1-11-9-12(2)20-18-14(11)15-16(23-18)17(21-22(15)3)19-10-13-7-5-4-6-8-13;1-10-8-11(2)20-16-13(10)12-9-19-15(14(12)21-16)18-7-6-17(3,4)5;1-9-7-10(2)18-16-12(9)13-14(22-16)15(19-20(13)3)17-8-11-5-4-6-21-11;1-8-7-9(2)17-14-11(8)12-13(22-14)10(3)18-19(12)15(20)21-16(4,5)6;1-7(2)15-13-12-11(18(5)17-13)10-8(3)6-9(4)16-14(10)19-12;1-6-4-7(2)15-13-10(6)9-5-14-12(11(9)18-13)16-8(3)17/h4-9H,10H2,1-3H3,(H,19,21);8H,6-7,9H2,1-5H3,(H,18,19);4-7H,8H2,1-3H3,(H,17,19);7H,1-6H3;6-7H,1-5H3,(H,15,17);4H,5H2,1-3H3,(H,14,16,17).
What are the key properties of N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine?
N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine has a molecular weight of 1787.43 g/mol, XLogP of 22.90, 10 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;tert-butyl 5,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaene-3-carboxylate;N-(3,3-dimethylbutyl)-10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;N-(10,12-dimethyl-7-thia-4,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl)acetamide;N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine;3,10,12-trimethyl-N-propan-2-yl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine is sourced from PubChem (CID 160923189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).