8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-4-(3-chlorophenyl)-1-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V027-7631 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-tert-butyl-4-(3-chlorophenyl)-1-(4-fluorophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 598.14 |
| Molecular Formula: | C30 H33 Cl F N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2cccc(c2)[Cl])c2c(C(C)(C)C)nn(c3ccc(cc3)F)c12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7561 |
| logD: | 4.7561 |
| logSw: | -4.8673 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.884 |
| InChI Key: | KMAJGUBBASJASH-HHHXNRCGSA-N |