N-[(4-chlorophenyl)methyl]-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide
N-[(4-chlorophenyl)methyl]-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide
Compound characteristics
| Compound ID: | 8018-2387 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide |
| Molecular Weight: | 303.71 |
| Molecular Formula: | C12 H10 Cl N7 O |
| Smiles: | C(c1ccc(cc1)[Cl])NC(c1nc([nH]n1)n1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8365 |
| logD: | 0.7664 |
| logSw: | -2.3839 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.667 |
| InChI Key: | PXOPCLRGGCEUBE-UHFFFAOYSA-N |