AC1M3ROT

5-(4-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one

Also Known As: F3394-0709|5-(4-chlorophenyl)-2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one|5-(4-chlorophenyl)-2-((2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-oxoethyl)thio)-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one|5-(4-chlorophenyl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one|3-(p-chlorophenyl)-6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethylthio]-5-phenyl-1-thia-5,7-diaza-4(5H)-indenone

Molecular Formula	C28H19ClN2O4S2
Molecular Weight	546.0475 g/mol
LogP	6.5138
Topological Polar Surface Area	70.42 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	546.0475
Monoisotopic Mass	546.0475
Heavy Atoms	37
Complexity	1681.0809

Chemical Identifiers

CAS Number	690642-91-2
SMILES	C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Cl)C(=O)N3C6=CC=CC=C6