8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(4-fluorophenyl)-1-(4-methylphenyl)-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

Chemical Structure Depiction of
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(4-fluorophenyl)-1-(4-methylphenyl)-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Available: 2 mg
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mg
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Compound characteristics

Compound ID: V010-8864
Compound Name: 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(4-fluorophenyl)-1-(4-methylphenyl)-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Molecular Weight: 603.74
Molecular Formula: C31 H30 F N5 O3 S2
Smiles: CC(N1CCN(CC1)C(CN1C(CSC(c2ccc(cc2)F)c2c(c3cccs3)nn(c3ccc(C)cc3)c12)=O)=O)=O
Stereo: RACEMIC MIXTURE
logP: 4.6507
logD: 4.6507
logSw: -4.2833
Hydrogen bond acceptors count: 8
Polar surface area: 64.631
InChI Key: MYKUWCGMBBMSGR-SSEXGKCCSA-N
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