N-[(4-methylphenyl)methoxy]-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methoxy]-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzamide
N-[(4-methylphenyl)methoxy]-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y500-4341 |
| Compound Name: | N-[(4-methylphenyl)methoxy]-4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzamide |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C18 H17 N5 O4 |
| Smiles: | Cc1ccc(CONC(c2ccc(Cn3cnc(n3)[N+]([O-])=O)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2697 |
| logD: | 2.0311 |
| logSw: | -2.6497 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.855 |
| InChI Key: | UPVFDRIZSGJFHB-UHFFFAOYSA-N |