N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide
Compound characteristics
| Compound ID: | V002-7529 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-hexylbenzamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C29 H30 N4 O4 |
| Salt: | not_available |
| Smiles: | CCCCCCc1ccc(cc1)C(Nc1ccc(cc1)n1c(c2ccc3c(c2)OCO3)nc(n1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6523 |
| logD: | 7.6522 |
| logSw: | -5.6202 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.441 |
| InChI Key: | FWRCRBUKYCFSFF-UHFFFAOYSA-N |