N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-pentylbenzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-pentylbenzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-pentylbenzamide
Compound characteristics
| Compound ID: | V008-0640 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}-4-pentylbenzamide |
| Molecular Weight: | 542.64 |
| Molecular Formula: | C31 H34 N4 O5 |
| Salt: | not_available |
| Smiles: | CCCCCc1ccc(cc1)C(Nc1ccc(cc1)n1c(c2ccc3c(c2)OCO3)nc(n1)OCCOCC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2999 |
| logD: | 7.2998 |
| logSw: | -5.4734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.292 |
| InChI Key: | KHCVBWWPKCBGNC-UHFFFAOYSA-N |