AC1LL0JE

2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Also Known As: BAS 00432645|AG-690/10677032|SR-01000492511-1|3-allyl-2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|F1043-0003|2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one|2-[2-(4-chlorophenyl)-2-oxoethylthio]-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[ b]thiopheno[2,3-d]pyrimidin-4-one|2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-ALLYL-2-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE|3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]thio}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Molecular Formula	C21H19ClN2O2S2
Molecular Weight	430.05765 g/mol
LogP	5.1512
Topological Polar Surface Area	51.96 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	430.05765
Monoisotopic Mass	430.05765
Heavy Atoms	28
Complexity	1116.1213

Chemical Identifiers

CAS Number	330449-46-2
SMILES	C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)Cl)SC4=C2CCCC4