N-{2-[(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-{2-[(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}-N-(propan-2-yl)benzamide
N-{2-[(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V002-3552 |
| Compound Name: | N-{2-[(4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 550.64 |
| Molecular Formula: | C27 H30 N6 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)N(CC(Nc1nc(CC(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)cs1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9133 |
| logD: | 3.9113 |
| logSw: | -3.8877 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.647 |
| InChI Key: | PPZAZKIVBDWUES-UHFFFAOYSA-N |