4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide

C93H83F3N30O11S8 — CID 167698235

About 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide

4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide (PubChem CID 167698235) has the molecular formula C93H83F3N30O11S8 and a molecular weight of 2110.42 g/mol. Its IUPAC name is 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide.

Molecular Properties

• Compound Name: 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide
• PubChem CID: 167698235
• Molecular Formula: C93H83F3N30O11S8
• Molecular Weight: 2110.42 g/mol
• Exact Mass: 2108.46
• IUPAC Name: 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide
• SMILES: CCCOCCn1ncc2c3sc(C)nc3n(C)c2c1=O.COc1cccc(Cn2ncc3c4sc(C(C)O)nc4n(C)c3c2=O)c1.COc1cccc(Cn2ncc3c4sc(C(F)(F)F)nc4n(C)c3c2=O)c1.Cc1cccc(Cn2ncc3c4sc(C#N)nc4n(C)c3c2=O)n1.Cc1nc(Cn2ncc3c4sc(C#N)nc4n(C)c3c2=O)cs1.Cc1nc(Cn2ncc3c4sc(C(N)=O)nc4n(C)c3c2=O)cs1
• InChI: InChI=1S/C18H18N4O3S.C17H13F3N4O2S.C16H12N6OS.C14H12N6O2S2.C14H10N6OS2.C14H18N4O2S/c1-10(23)17-20-16-15(26-17)13-8-19-22(18(24)14(13)21(16)2)9-11-5-4-6-12(7-11)25-3;1-23-12-11(13-14(23)22-16(27-13)17(18,19)20)7-21-24(15(12)25)8-9-4-3-5-10(6-9)26-2;1-9-4-3-5-10(19-9)8-22-16(23)13-11(7-18-22)14-15(21(13)2)20-12(6-17)24-14;1-6-17-7(5-23-6)4-20-14(22)9-8(3-16-20)10-12(19(9)2)18-13(24-10)11(15)21;1-7-17-8(6-22-7)5-20-14(21)11-9(4-16-20)12-13(19(11)2)18-10(3-15)23-12;1-4-6-20-7-5-18-14(19)11-10(8-15-18)12-13(17(11)3)16-9(2)21-12/h4-8,10,23H,9H2,1-3H3;3-7H,8H2,1-2H3;3-5,7H,8H2,1-2H3;3,5H,4H2,1-2H3,(H2,15,21);4,6H,5H2,1-2H3;8H,4-7H2,1-3H3
• InChIKey: XZHFGRSOXZDTPO-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 493.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 48
• Rotatable Bonds: 19
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.42
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide?

The IUPAC name of 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide (CID 167698235) is 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide.

What is the SMILES notation for 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide?

The canonical SMILES for 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide is CCCOCCn1ncc2c3sc(C)nc3n(C)c2c1=O.COc1cccc(Cn2ncc3c4sc(C(C)O)nc4n(C)c3c2=O)c1.COc1cccc(Cn2ncc3c4sc(C(F)(F)F)nc4n(C)c3c2=O)c1.Cc1cccc(Cn2ncc3c4sc(C#N)nc4n(C)c3c2=O)n1.Cc1nc(Cn2ncc3c4sc(C#N)nc4n(C)c3c2=O)cs1.Cc1nc(Cn2ncc3c4sc(C(N)=O)nc4n(C)c3c2=O)cs1.

What is the InChIKey of 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide?

The InChIKey is XZHFGRSOXZDTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S.C17H13F3N4O2S.C16H12N6OS.C14H12N6O2S2.C14H10N6OS2.C14H18N4O2S/c1-10(23)17-20-16-15(26-17)13-8-19-22(18(24)14(13)21(16)2)9-11-5-4-6-12(7-11)25-3;1-23-12-11(13-14(23)22-16(27-13)17(18,19)20)7-21-24(15(12)25)8-9-4-3-5-10(6-9)26-2;1-9-4-3-5-10(19-9)8-22-16(23)13-11(7-18-22)14-15(21(13)2)20-12(6-17)24-14;1-6-17-7(5-23-6)4-20-14(22)9-8(3-16-20)10-12(19(9)2)18-13(24-10)11(15)21;1-7-17-8(6-22-7)5-20-14(21)11-9(4-16-20)12-13(19(11)2)18-10(3-15)23-12;1-4-6-20-7-5-18-14(19)11-10(8-15-18)12-13(17(11)3)16-9(2)21-12/h4-8,10,23H,9H2,1-3H3;3-7H,8H2,1-2H3;3-5,7H,8H2,1-2H3;3,5H,4H2,1-2H3,(H2,15,21);4,6H,5H2,1-2H3;8H,4-7H2,1-3H3.

What are the key properties of 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide?

4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide has a molecular weight of 2110.42 g/mol, XLogP of 13.21, 19 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-10-(2-propoxyethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;4-(1-hydroxyethyl)-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;10-[(3-methoxyphenyl)methyl]-7-methyl-4-(trifluoromethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one;7-methyl-10-[(6-methyl-2-pyridinyl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbonitrile;7-methyl-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-oxo-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carboxamide is sourced from PubChem (CID 167698235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).