ethyl 4-({1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}carbamamido)benzoate
Chemical Structure Depiction of
ethyl 4-({1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}carbamamido)benzoate
ethyl 4-({1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}carbamamido)benzoate
Compound characteristics
| Compound ID: | Y501-5922 |
| Compound Name: | ethyl 4-({1-[(2,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}carbamamido)benzoate |
| Molecular Weight: | 434.28 |
| Molecular Formula: | C19 H17 Cl2 N5 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(Nc1ncn(Cc2ccc(cc2[Cl])[Cl])n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3395 |
| logD: | 5.339 |
| logSw: | -5.9654 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.517 |
| InChI Key: | HEISQCRKJASRKA-UHFFFAOYSA-N |