8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione

C114H83N9O20S — CID 159197709

IUPAC8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione
SMILESCOc1cc2c3c(n(C)c(=O)c2cc1C)-c1cc2c(cc1C3=O)OCO2.COc1cc2c3c(n(CN4CCOCC4)c(=O)c2cc1C)-c1cc2c(cc1C3=O)OCO2.COc1cc2c3c(n(Cn4ccnc4)c(=O)c2cc1C)-c1cc2c(cc1C3=O)OCO2.Cc1cccc2cc3c(=O)n(-c4ccccc4)c4c(c3nc12)C(=O)c1ccccc1-4.O=C1c2ccccc2-c2c1c1sccc1c(=O)n2Cc1ccccc1
InChIInChI=1S/C26H16N2O2.C24H22N2O6.C23H17N3O5.C21H13NO2S.C20H15NO5/c1-15-8-7-9-16-14-20-23(27-22(15)16)21-24(18-12-5-6-13-19(18)25(21)29)28(26(20)30)17-10-3-2-4-11-17;1-13-7-17-14(8-18(13)29-2)21-22(26(24(17)28)11-25-3-5-30-6-4-25)15-9-19-20(32-12-31-19)10-16(15)23(21)27;1-12-5-16-13(6-17(12)29-2)20-21(26(23(16)28)10-25-4-3-24-9-25)14-7-18-19(31-11-30-18)8-15(14)22(20)27;23-19-15-9-5-4-8-14(15)18-17(19)20-16(10-11-25-20)21(24)22(18)12-13-6-2-1-3-7-13;1-9-4-13-10(5-14(9)24-3)17-18(21(2)20(13)23)11-6-15-16(26-8-25-15)7-12(11)19(17)22/h2-14H,1H3;7-10H,3-6,11-12H2,1-2H3;3-9H,10-11H2,1-2H3;1-11H,12H2;4-7H,8H2,1-3H3
InChIKeyKOWLWZULNMIKMZ-UHFFFAOYSA-N
MW1931.03 g/mol
LogP17.69
Rot. Bonds10

About 8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione

8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione (PubChem CID 159197709) has the molecular formula C114H83N9O20S and a molecular weight of 1931.03 g/mol. Its IUPAC name is 8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione.

Molecular Properties

Compound Name8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione
PubChem CID159197709
Molecular FormulaC114H83N9O20S
Molecular Weight1931.03 g/mol
Exact Mass1929.55
IUPAC Name8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione
SMILESCOc1cc2c3c(n(C)c(=O)c2cc1C)-c1cc2c(cc1C3=O)OCO2.COc1cc2c3c(n(CN4CCOCC4)c(=O)c2cc1C)-c1cc2c(cc1C3=O)OCO2.COc1cc2c3c(n(Cn4ccnc4)c(=O)c2cc1C)-c1cc2c(cc1C3=O)OCO2.Cc1cccc2cc3c(=O)n(-c4ccccc4)c4c(c3nc12)C(=O)c1ccccc1-4.O=C1c2ccccc2-c2c1c1sccc1c(=O)n2Cc1ccccc1
InChIInChI=1S/C26H16N2O2.C24H22N2O6.C23H17N3O5.C21H13NO2S.C20H15NO5/c1-15-8-7-9-16-14-20-23(27-22(15)16)21-24(18-12-5-6-13-19(18)25(21)29)28(26(20)30)17-10-3-2-4-11-17;1-13-7-17-14(8-18(13)29-2)21-22(26(24(17)28)11-25-3-5-30-6-4-25)15-9-19-20(32-12-31-19)10-16(15)23(21)27;1-12-5-16-13(6-17(12)29-2)20-21(26(23(16)28)10-25-4-3-24-9-25)14-7-18-19(31-11-30-18)8-15(14)22(20)27;23-19-15-9-5-4-8-14(15)18-17(19)20-16(10-11-25-20)21(24)22(18)12-13-6-2-1-3-7-13;1-9-4-13-10(5-14(9)24-3)17-18(21(2)20(13)23)11-6-15-16(26-8-25-15)7-12(11)19(17)22/h2-14H,1H3;7-10H,3-6,11-12H2,1-2H3;3-9H,10-11H2,1-2H3;1-11H,12H2;4-7H,8H2,1-3H3
InChIKeyKOWLWZULNMIKMZ-UHFFFAOYSA-N
XLogP17.69
TPSA321.60 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001931.03
LogP ≤ 517.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione with MolForge

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Related Compounds

1-cyano-1,3,3-trimethyl-2-(4-propan-2-ylphenyl)guanidine;(3,4-dimethoxyphenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone;2-(4-methoxyphenyl)-1-methyl-6-propan-2-ylbenzimidazole;4-[(E)-3-methylbut-1-enyl]pyridine;1-(4-propan-2-ylphenyl)imidazole;1-(4-propan-2-ylphenyl)pyridin-4-one;1-(5-propan-2-ylthiophen-3-yl)imidazole
CID 157329645
1-cyano-1,3,3-trimethyl-2-(4-propan-2-ylphenyl)guanidine;(3,4-dimethoxyphenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone;methane;2-(4-methoxyphenyl)-1-methyl-6-propan-2-ylbenzimidazole;4-[(E)-3-methylbut-1-enyl]pyridine;1-(4-propan-2-ylphenyl)imidazole;1-(4-propan-2-ylphenyl)pyridin-4-one;1-(5-propan-2-ylthiophen-3-yl)imidazole
CID 157730837

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione?
The IUPAC name of 8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione (CID 159197709) is 8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione.
What is the SMILES notation for 8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione?
The canonical SMILES for 8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione is COc1cc2c3c(n(C)c(=O)c2cc1C)-c1cc2c(cc1C3=O)OCO2.COc1cc2c3c(n(CN4CCOCC4)c(=O)c2cc1C)-c1cc2c(cc1C3=O)OCO2.COc1cc2c3c(n(Cn4ccnc4)c(=O)c2cc1C)-c1cc2c(cc1C3=O)OCO2.Cc1cccc2cc3c(=O)n(-c4ccccc4)c4c(c3nc12)C(=O)c1ccccc1-4.O=C1c2ccccc2-c2c1c1sccc1c(=O)n2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione?
The InChIKey is KOWLWZULNMIKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O2.C24H22N2O6.C23H17N3O5.C21H13NO2S.C20H15NO5/c1-15-8-7-9-16-14-20-23(27-22(15)16)21-24(18-12-5-6-13-19(18)25(21)29)28(26(20)30)17-10-3-2-4-11-17;1-13-7-17-14(8-18(13)29-2)21-22(26(24(17)28)11-25-3-5-30-6-4-25)15-9-19-20(32-12-31-19)10-16(15)23(21)27;1-12-5-16-13(6-17(12)29-2)20-21(26(23(16)28)10-25-4-3-24-9-25)14-7-18-19(31-11-30-18)8-15(14)22(20)27;23-19-15-9-5-4-8-14(15)18-17(19)20-16(10-11-25-20)21(24)22(18)12-13-6-2-1-3-7-13;1-9-4-13-10(5-14(9)24-3)17-18(21(2)20(13)23)11-6-15-16(26-8-25-15)7-12(11)19(17)22/h2-14H,1H3;7-10H,3-6,11-12H2,1-2H3;3-9H,10-11H2,1-2H3;1-11H,12H2;4-7H,8H2,1-3H3.
What are the key properties of 8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione?
8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione has a molecular weight of 1931.03 g/mol, XLogP of 17.69, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-thia-8-azatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,10,12,14-hexaene-7,16-dione;20-(imidazol-1-ylmethyl)-15-methoxy-16-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16,20-dimethyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;15-methoxy-16-methyl-20-(morpholin-4-ylmethyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione;19-methyl-11-phenyl-11,21-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,13,15,17,19-nonaene-3,12-dione is sourced from PubChem (CID 159197709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).