N-cyclopropyl-N-{2-[(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}benzamide
Chemical Structure Depiction of
N-cyclopropyl-N-{2-[(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}benzamide
N-cyclopropyl-N-{2-[(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}benzamide
Compound characteristics
| Compound ID: | V031-3024 |
| Compound Name: | N-cyclopropyl-N-{2-[(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}benzamide |
| Molecular Weight: | 548.62 |
| Molecular Formula: | C27 H28 N6 O5 S |
| Salt: | not_available |
| Smiles: | C1CC1N(CC(Nc1nc(CC(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)cs1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8168 |
| logD: | 3.8148 |
| logSw: | -3.9897 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.207 |
| InChI Key: | UAWGCCQJRPHNCS-UHFFFAOYSA-N |