N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y502-9545 |
| Compound Name: | N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 437.84 |
| Molecular Formula: | C20 H16 Cl N7 O3 |
| Smiles: | C(c1ccc(cc1)C(Nc1ncn(Cc2ccccc2)n1)=O)n1cc(c(n1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.886 |
| logD: | 2.7361 |
| logSw: | -3.5635 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.148 |
| InChI Key: | PCOVXDZAPLGBPR-UHFFFAOYSA-N |