4-chloro-N-{1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
Chemical Structure Depiction of
4-chloro-N-{1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
4-chloro-N-{1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
Compound characteristics
| Compound ID: | D524-1652 |
| Compound Name: | 4-chloro-N-{1-[2-(3,5-dimethylanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide |
| Molecular Weight: | 383.84 |
| Molecular Formula: | C19 H18 Cl N5 O2 |
| Smiles: | Cc1cc(C)cc(c1)NC(Cn1cnc(NC(c2ccc(cc2)[Cl])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7604 |
| logD: | 3.0607 |
| logSw: | -4.2474 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.701 |
| InChI Key: | RQQPQMDPTWKSMP-UHFFFAOYSA-N |