8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3,4-dimethoxyphenyl)-1-methyl-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-(3,4-dimethoxyphenyl)-1-methyl-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-(3,4-dimethoxyphenyl)-1-methyl-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V008-1918 |
| Compound Name: | 8-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3,4-dimethoxyphenyl)-1-methyl-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 563.68 |
| Molecular Formula: | C29 H33 N5 O5 S |
| Smiles: | CC(N1CCN(CC1)C(CN1C(CSC(c2ccc(c(c2)OC)OC)c2c(c3ccccc3)nn(C)c12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0325 |
| logD: | 2.0325 |
| logSw: | -2.6074 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.295 |
| InChI Key: | QUXKWHDPUCWGFA-MUUNZHRXSA-N |