N-{4-[3-ethoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{4-[3-ethoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
N-{4-[3-ethoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | V002-5472 |
| Compound Name: | N-{4-[3-ethoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-3,3-dimethylbutanamide |
| Molecular Weight: | 392.5 |
| Molecular Formula: | C23 H28 N4 O2 |
| Salt: | not_available |
| Smiles: | CCOc1nc(c2ccccc2C)n(c2ccc(cc2)NC(CC(C)(C)C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4714 |
| logD: | 5.4714 |
| logSw: | -5.4443 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.963 |
| InChI Key: | SAEJTXZYBFSJNK-UHFFFAOYSA-N |