4-chloro-N-{1-[2-(3-methoxyanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
Chemical Structure Depiction of
4-chloro-N-{1-[2-(3-methoxyanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
4-chloro-N-{1-[2-(3-methoxyanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide
Compound characteristics
| Compound ID: | D524-1617 |
| Compound Name: | 4-chloro-N-{1-[2-(3-methoxyanilino)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}benzamide |
| Molecular Weight: | 385.81 |
| Molecular Formula: | C18 H16 Cl N5 O3 |
| Smiles: | COc1cccc(c1)NC(Cn1cnc(NC(c2ccc(cc2)[Cl])=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1339 |
| logD: | 2.4341 |
| logSw: | -3.5681 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.244 |
| InChI Key: | VCVZNTGFLLHLQD-UHFFFAOYSA-N |