N-[(4-chlorophenyl)methyl]-5-(4-methylanilino)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-5-(4-methylanilino)-1H-1,2,3-triazole-4-carboxamide
N-[(4-chlorophenyl)methyl]-5-(4-methylanilino)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-0092 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-5-(4-methylanilino)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 341.8 |
| Molecular Formula: | C17 H16 Cl N5 O |
| Smiles: | Cc1ccc(cc1)Nc1c(C(NCc2ccc(cc2)[Cl])=O)nn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.313 |
| logD: | 3.2111 |
| logSw: | -3.7323 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.877 |
| InChI Key: | RQNQATSQPVDJJX-UHFFFAOYSA-N |