8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-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]-3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V013-7070 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-4-(2-fluorophenyl)-1-(2-methylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 577.72 |
| Molecular Formula: | C31 H36 F N5 O3 S |
| Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2ccccc2F)c2c(C(C)(C)C)nn(c3ccccc3C)c12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6021 |
| logD: | 4.6021 |
| logSw: | -4.2194 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.583 |
| InChI Key: | BVHSNQYLVMQDFM-MUUNZHRXSA-N |