8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-3-phenyl-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-(2,4-difluorophenyl)-1-(4-methylphenyl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V003-3760 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)-1-(4-methylphenyl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 615.7 |
| Molecular Formula: | C33 H31 F2 N5 O3 S |
| Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2ccc(cc2F)F)c2c(c3ccccc3)nn(c3ccc(C)cc3)c12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7958 |
| logD: | 4.7958 |
| logSw: | -4.5719 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.613 |
| InChI Key: | TYUAYLUPVDBFPJ-JGCGQSQUSA-N |