N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V026-1528 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-methoxy-1H-1,2,4-triazol-1-yl]phenyl}-3-nitrobenzamide |
| Molecular Weight: | 459.42 |
| Molecular Formula: | C23 H17 N5 O6 |
| Salt: | not_available |
| Smiles: | COc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(c2cccc(c2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5786 |
| logD: | 4.5773 |
| logSw: | -4.5555 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.822 |
| InChI Key: | CLELLJKFDTUMQL-UHFFFAOYSA-N |