N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide
Chemical Structure Depiction of
N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide
N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-5830 |
| Compound Name: | N-[3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide |
| Molecular Weight: | 442.9 |
| Molecular Formula: | C22 H23 Cl N4 O4 |
| Smiles: | Cc1c(c(C)n(CCCNC(c2cccc(COc3ccc(cc3)[N+]([O-])=O)c2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5224 |
| logD: | 3.5224 |
| logSw: | -4.2953 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.634 |
| InChI Key: | ZKIAOYOUEUIHJL-UHFFFAOYSA-N |