AC1LKKB4

4-[[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid

Also Known As: Oprea1_725678|4-{[5-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl]methyl}benzoic acid|4-[[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid|4-{[5-(4-Methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]methyl}benzoic acid|4-((5-(4-Methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)methyl)benzoic acid|4-[[5-(4-methoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid|4-{[5-(4-methoxyphenyl)-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-3-yl]methyl}ben zoic acid

Molecular Formula	C21H16N2O4S
Molecular Weight	392.08307 g/mol
LogP	3.8801
Topological Polar Surface Area	81.42 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	392.08307
Monoisotopic Mass	392.08307
Heavy Atoms	28
Complexity	1208.1234

Chemical Identifiers

CAS Number	457918-50-2
SMILES	COC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)O