N-{4-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{4-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}adamantane-1-carboxamide
N-{4-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | V014-4861 |
| Compound Name: | N-{4-[5-(3,4-dichlorophenyl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}adamantane-1-carboxamide |
| Molecular Weight: | 511.45 |
| Molecular Formula: | C27 H28 Cl2 N4 O2 |
| Salt: | not_available |
| Smiles: | CCOc1nc(c2ccc(c(c2)[Cl])[Cl])n(c2ccc(cc2)NC(C23CC4CC(CC(C4)C3)C2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 8.1247 |
| logD: | 8.1247 |
| logSw: | -6.6487 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.938 |
| InChI Key: | KMNCZNZXEYRBSG-UHFFFAOYSA-N |