(12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione

C133H111F6N15O20S5 — CID 165025382

About (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione

(12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione (PubChem CID 165025382) has the molecular formula C133H111F6N15O20S5 and a molecular weight of 2513.76 g/mol. Its IUPAC name is (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione.

Molecular Properties

• Compound Name: (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione
• PubChem CID: 165025382
• Molecular Formula: C133H111F6N15O20S5
• Molecular Weight: 2513.76 g/mol
• Exact Mass: 2511.66
• IUPAC Name: (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione
• SMILES: CCC1/C=C\COc2cc(F)c(F)c3c2C(c2ccccc2SC3)N2CN1C(=O)c1c(O)c(=O)ccn12.CCC1/C=C\COc2cccc3c2C(c2ccccc2SC3)N2CN1C(=O)c1c(O)c(=O)ccn12.O=C1c2c(O)c(=O)ccn2N2CN1C/C=C\COc1cc(F)c(F)c3c1C2c1ccccc1SC3.O=C1c2c(O)c(=O)ccn2N2CN1C1(/C=C\COc3cc(F)c(F)c4c3C2c2ccccc2SC4)CC1.O=C1c2c(O)c(=O)ccn2N2CN1C1(/C=C\COc3cccc4c3C2c2ccccc2SC4)CC1
• InChI: InChI=1S/C27H21F2N3O4S.C27H23F2N3O4S.C27H23N3O4S.C27H25N3O4S.C25H19F2N3O4S/c28-17-12-19-21-16(22(17)29)13-37-20-5-2-1-4-15(20)23(21)32-14-30(27(8-9-27)7-3-11-36-19)26(35)24-25(34)18(33)6-10-31(24)32;1-2-15-6-5-11-36-20-12-18(28)23(29)17-13-37-21-8-4-3-7-16(21)24(22(17)20)32-14-30(15)27(35)25-26(34)19(33)9-10-31(25)32;31-19-9-13-29-24(25(19)32)26(33)28-16-30(29)23-18-6-1-2-8-21(18)35-15-17-5-3-7-20(22(17)23)34-14-4-10-27(28)11-12-27;1-2-18-8-6-14-34-21-10-5-7-17-15-35-22-11-4-3-9-19(22)24(23(17)21)30-16-28(18)27(33)25-26(32)20(31)12-13-29(25)30;26-16-11-18-20-15(21(16)27)12-35-19-6-2-1-5-14(19)22(20)30-13-28(8-3-4-10-34-18)25(33)23-24(32)17(31)7-9-29(23)30/h1-7,10,12,23,34H,8-9,11,13-14H2;3-10,12,15,24,34H,2,11,13-14H2,1H3;1-10,13,23,32H,11-12,14-16H2;3-13,18,24,32H,2,14-16H2,1H3;1-7,9,11,22,32H,8,10,12-13H2/b7-3-;6-5-;10-4-;8-6-;4-3-
• InChIKey: LULZSZPFKOGXLB-JXQSNRJSSA-N
• XLogP: 19.70
• TPSA: 375.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 2
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2513.76
LogP ≤ 5	19.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione?

The IUPAC name of (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione (CID 165025382) is (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione.

What is the SMILES notation for (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione?

The canonical SMILES for (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione is CCC1/C=C\COc2cc(F)c(F)c3c2C(c2ccccc2SC3)N2CN1C(=O)c1c(O)c(=O)ccn12.CCC1/C=C\COc2cccc3c2C(c2ccccc2SC3)N2CN1C(=O)c1c(O)c(=O)ccn12.O=C1c2c(O)c(=O)ccn2N2CN1C/C=C\COc1cc(F)c(F)c3c1C2c1ccccc1SC3.O=C1c2c(O)c(=O)ccn2N2CN1C1(/C=C\COc3cc(F)c(F)c4c3C2c2ccccc2SC4)CC1.O=C1c2c(O)c(=O)ccn2N2CN1C1(/C=C\COc3cccc4c3C2c2ccccc2SC4)CC1.

What is the InChIKey of (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione?

The InChIKey is LULZSZPFKOGXLB-JXQSNRJSSA-N. The full InChI is InChI=1S/C27H21F2N3O4S.C27H23F2N3O4S.C27H23N3O4S.C27H25N3O4S.C25H19F2N3O4S/c28-17-12-19-21-16(22(17)29)13-37-20-5-2-1-4-15(20)23(21)32-14-30(27(8-9-27)7-3-11-36-19)26(35)24-25(34)18(33)6-10-31(24)32;1-2-15-6-5-11-36-20-12-18(28)23(29)17-13-37-21-8-4-3-7-16(21)24(22(17)20)32-14-30(15)27(35)25-26(34)19(33)9-10-31(25)32;31-19-9-13-29-24(25(19)32)26(33)28-16-30(29)23-18-6-1-2-8-21(18)35-15-17-5-3-7-20(22(17)23)34-14-4-10-27(28)11-12-27;1-2-18-8-6-14-34-21-10-5-7-17-15-35-22-11-4-3-9-19(22)24(23(17)21)30-16-28(18)27(33)25-26(32)20(31)12-13-29(25)30;26-16-11-18-20-15(21(16)27)12-35-19-6-2-1-5-14(19)22(20)30-13-28(8-3-4-10-34-18)25(33)23-24(32)17(31)7-9-29(23)30/h1-7,10,12,23,34H,8-9,11,13-14H2;3-10,12,15,24,34H,2,11,13-14H2,1H3;1-10,13,23,32H,11-12,14-16H2;3-13,18,24,32H,2,14-16H2,1H3;1-7,9,11,22,32H,8,10,12-13H2/b7-3-;6-5-;10-4-;8-6-;4-3-.

What are the key properties of (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione?

(12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione has a molecular weight of 2513.76 g/mol, XLogP of 19.70, 2 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (12E)-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-18,19-difluoro-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione;(12E)-11-ethyl-18,19-difluoro-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-11-ethyl-7-hydroxy-15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-6,9-dione;(12E)-7-hydroxyspiro[15-oxa-22-thia-2,3,10-triazahexacyclo[14.12.1.12,10.03,8.020,29.023,28]triaconta-4,7,12,16,18,20(29),23,25,27-nonaene-11,1'-cyclopropane]-6,9-dione is sourced from PubChem (CID 165025382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).