7-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Chemical Structure Depiction of
7-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
7-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | V001-3936 |
| Compound Name: | 7-methyl-4-[4-(4-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine |
| Molecular Weight: | 515.65 |
| Molecular Formula: | C24 H29 N5 O4 S2 |
| Salt: | not_available |
| Smiles: | CC1CCc2c3c(nc(C(C)C)nc3sc2C1)N1CCN(CC1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0533 |
| logD: | 5.7009 |
| logSw: | -5.873 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.121 |
| InChI Key: | IMIHOBVKLSGKNK-MRXNPFEDSA-N |