4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | V001-3958 |
| Compound Name: | 4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine |
| Molecular Weight: | 550.1 |
| Molecular Formula: | C24 H28 Cl N5 O4 S2 |
| Salt: | not_available |
| Smiles: | CC1CCc2c3c(nc(C(C)C)nc3sc2C1)N1CCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.565 |
| logD: | 6.2126 |
| logSw: | -6.4779 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.82 |
| InChI Key: | MFSKTHKKXWSRHE-OAHLLOKOSA-N |