N-{3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide
N-{3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V027-0459 |
| Compound Name: | N-{3-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}thiophene-2-carboxamide |
| Molecular Weight: | 459.35 |
| Molecular Formula: | C21 H16 Cl2 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCOc1nc(c2ccc(c(c2)[Cl])[Cl])n(c2cccc(c2)NC(c2cccs2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.582 |
| logD: | 6.582 |
| logSw: | -6.3859 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.923 |
| InChI Key: | KGJUFCRBIKTOAN-UHFFFAOYSA-N |