N-{1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
N-{1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | D524-1329 |
| Compound Name: | N-{1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}-4-methylbenzamide |
| Molecular Weight: | 383.84 |
| Molecular Formula: | C19 H18 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1)C(Nc1ncn(CC(Nc2cccc(c2C)[Cl])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7034 |
| logD: | 3.5046 |
| logSw: | -3.9913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.003 |
| InChI Key: | MLXUZDVWHLDHNZ-UHFFFAOYSA-N |