N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-chlorobenzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-chlorobenzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-chlorobenzamide
Compound characteristics
| Compound ID: | V004-3346 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-3-chlorobenzamide |
| Molecular Weight: | 506.95 |
| Molecular Formula: | C26 H23 Cl N4 O5 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(c2cccc(c2)[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.439 |
| logD: | 5.4383 |
| logSw: | -5.9082 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.292 |
| InChI Key: | GISZPHFDLCHERA-UHFFFAOYSA-N |