4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V016-8236 |
| Compound Name: | 4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C28 H28 N6 O3 S |
| Salt: | not_available |
| Smiles: | C1CCc2c(C1)c1c(nc(Cc3ccccc3)nc1s2)N1CCN(CC1)C(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3461 |
| logD: | 6.2239 |
| logSw: | -6.0218 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.598 |
| InChI Key: | YXGAVVVTBXQAEF-UHFFFAOYSA-N |