AC1LP0IM

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone

Also Known As: Oprea1_477788|F1174-3189|AF-399/40851180|1-[4-[(4-Methylphenyl)sulfonyl]-1-piperazinyl]-2-[(5,6,7,8-tetrahydro-2-methyl[1]benzothieno[2,3-d]pyrimidin-4-yl)thio]ethanone|2-({5-methyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-yl}sulfanyl)-1-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]ethan-1-one|1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone|2-((2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-tosylpiperazin-1-yl)ethanone|2-(2-methyl-9-thia-1,3-diaza-5,6,7,8-tetrahydro-4-fluorenylthio)-1-(4-tosyl-1-piperazinyl)-1-ethanone|2-methyl-4-[(2-{4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}-2-oxoethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

Molecular Formula	C24H28N4O3S3
Molecular Weight	516.1323 g/mol
LogP	3.81214
Topological Polar Surface Area	83.47 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	516.1323
Monoisotopic Mass	516.1323
Heavy Atoms	34
Complexity	1327.7422

Chemical Identifiers

CAS Number	670271-06-4
SMILES	CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=NC4=C3C5=C(S4)CCCC5)C