1-[5-(3-chloro-4-methoxyanilino)-1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(3-chloro-4-methoxyanilino)-1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one
1-[5-(3-chloro-4-methoxyanilino)-1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | D112-0036 |
| Compound Name: | 1-[5-(3-chloro-4-methoxyanilino)-1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]ethan-1-one |
| Molecular Weight: | 377.23 |
| Molecular Formula: | C17 H14 Cl2 N4 O2 |
| Smiles: | CC(c1c(Nc2ccc(c(c2)[Cl])OC)n(c2ccc(cc2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1187 |
| logD: | 4.1187 |
| logSw: | -4.4582 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.123 |
| InChI Key: | XRRSXVBFCBOHIX-UHFFFAOYSA-N |