4-chloro-N-{1-[2-(3-chloroanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
Chemical Structure Depiction of
4-chloro-N-{1-[2-(3-chloroanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
4-chloro-N-{1-[2-(3-chloroanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
Compound characteristics
| Compound ID: | D524-1606 |
| Compound Name: | 4-chloro-N-{1-[2-(3-chloroanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide |
| Molecular Weight: | 390.23 |
| Molecular Formula: | C17 H13 Cl2 N5 O2 |
| Smiles: | C(C(Nc1cccc(c1)[Cl])=O)n1cnc(NC(c2ccc(cc2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.821 |
| logD: | 3.1213 |
| logSw: | -4.4071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.701 |
| InChI Key: | OAQIBPMJGGGVQS-UHFFFAOYSA-N |