8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-4-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-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-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-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-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V026-0310 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-4-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 608.2 |
| Molecular Formula: | C32 H38 Cl N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2cccc(c2)[Cl])c2c(C(C)(C)C)nn(c3ccc(C)cc3C)c12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.827 |
| logD: | 5.827 |
| logSw: | -5.9109 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.583 |
| InChI Key: | HGEBDJFUYBLLHA-GDLZYMKVSA-N |