8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-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-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V027-4408 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 690.22 |
| Molecular Formula: | C35 H36 Cl N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2cc(ccc2OC)OC)c2c(c3ccc(cc3)[Cl])nn(c3ccc(cc3)OC)c12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9517 |
| logD: | 4.9517 |
| logSw: | -5.1737 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.331 |
| InChI Key: | CURZLPVHNZOEJN-UUWRZZSWSA-N |