4-chloro-N-[3-(1H-imidazol-1-yl)propyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[3-(1H-imidazol-1-yl)propyl]-3-nitrobenzamide
4-chloro-N-[3-(1H-imidazol-1-yl)propyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y031-8297 |
| Compound Name: | 4-chloro-N-[3-(1H-imidazol-1-yl)propyl]-3-nitrobenzamide |
| Molecular Weight: | 308.72 |
| Molecular Formula: | C13 H13 Cl N4 O3 |
| Smiles: | C(CNC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)Cn1ccnc1 |
| Stereo: | ACHIRAL |
| logP: | 1.1494 |
| logD: | 0.9075 |
| logSw: | -2.7016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.374 |
| InChI Key: | MDPRKBDITYOVMD-UHFFFAOYSA-N |