AC1LZ18F

4-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Also Known As: 4-({[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoic acid|4-(((3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoic acid|4-({[4-(4-ethoxyphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}methyl)benzoic acid|4-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoic acid|4-{[3-(4-ethoxyphenyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrim idin-2-ylthio]methyl}benzoic acid

Molecular Formula	C26H24N2O4S2
Molecular Weight	492.11774 g/mol
LogP	5.7152
Topological Polar Surface Area	81.42 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	492.11774
Monoisotopic Mass	492.11774
Heavy Atoms	34
Complexity	1406.2576

Chemical Identifiers

CAS Number	613226-77-0
SMILES	CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)C(=O)O)SC5=C3CCCC5