N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-5261 |
| Compound Name: | N-{4-[3-methoxy-5-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C24 H20 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1c1nc(nn1c1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7179 |
| logD: | 4.7178 |
| logSw: | -4.5086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.441 |
| InChI Key: | LZOTXWOGAZPHJC-UHFFFAOYSA-N |