1-[1-(4-chlorophenyl)-5-(3,5-dimethoxyanilino)-1H-1,2,3-triazol-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(4-chlorophenyl)-5-(3,5-dimethoxyanilino)-1H-1,2,3-triazol-4-yl]ethan-1-one
1-[1-(4-chlorophenyl)-5-(3,5-dimethoxyanilino)-1H-1,2,3-triazol-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | D112-0025 |
| Compound Name: | 1-[1-(4-chlorophenyl)-5-(3,5-dimethoxyanilino)-1H-1,2,3-triazol-4-yl]ethan-1-one |
| Molecular Weight: | 372.81 |
| Molecular Formula: | C18 H17 Cl N4 O3 |
| Smiles: | CC(c1c(Nc2cc(cc(c2)OC)OC)n(c2ccc(cc2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7472 |
| logD: | 3.7472 |
| logSw: | -4.2618 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.58 |
| InChI Key: | MQZCHNOTGSMXHL-UHFFFAOYSA-N |