4-[4-(4-bromobenzene-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-bromobenzene-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-bromobenzene-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: | V001-3979 |
| Compound Name: | 4-[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]-7-methyl-2-(propan-2-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine |
| Molecular Weight: | 549.55 |
| Molecular Formula: | C24 H29 Br N4 O2 S2 |
| Salt: | not_available |
| Smiles: | CC1CCc2c3c(nc(C(C)C)nc3sc2C1)N1CCN(CC1)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9615 |
| logD: | 6.6092 |
| logSw: | -6.1688 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.739 |
| InChI Key: | AENDJPCZQOFCKE-MRXNPFEDSA-N |