AC1MSBCC

4-hydroxy-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide

Also Known As: Oprea1_354809|Oprea1_855471|F1060-0006|AF-399/40878643|SR-01000246739-1|4-hydroxy-2-((4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(pyridin-3-ylmethyl)butanamide|4-hydroxy-2-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide|4-hydroxy-2-({3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)-N-[(pyridin-3-yl)methyl]butanamide|4-hydroxy-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide|4-hydroxy-2-(4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylt hio))-N-(3-pyridylmethyl)butanamide|4-hydroxy-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-pyridinylmethyl)butanamide|4-hydroxy-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)butanamide|N-(3-pyridyl)methyl4-hydroxy-2-(4-oxo-9-thia-1,3-diaza-3,4,5,6,7,8-hexahydro-2-fluorenylthio)butyramide

Molecular Formula	C20H22N4O3S2
Molecular Weight	430.11334 g/mol
LogP	2.4179
Topological Polar Surface Area	107.97 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	430.11334
Monoisotopic Mass	430.11334
Heavy Atoms	29
Complexity	1064.7687

Chemical Identifiers

CAS Number	369396-42-9
SMILES	C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SC(CCO)C(=O)NCC4=CN=CC=C4