8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-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-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-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-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V007-0077 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(2,5-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 653.8 |
| Molecular Formula: | C36 H39 N5 O5 S |
| Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2cc(ccc2OC)OC)c2c(c3ccccc3)nn(c3ccc(C)cc3C)c12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3695 |
| logD: | 5.3695 |
| logSw: | -5.391 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.486 |
| InChI Key: | NBKPXYQXGVUHKN-PGUFJCEWSA-N |