8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(4-fluorophenyl)-1-(2-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-(2-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-(2-methylphenyl)-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V010-8703 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(4-fluorophenyl)-1-(2-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(c3ccccc3C)c12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.612 |
| logD: | 4.612 |
| logSw: | -4.2256 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.33 |
| InChI Key: | DYCJYIOEHDBIFM-SSEXGKCCSA-N |