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
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
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 |