N-(4-{5-(4-methoxyphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{5-(4-methoxyphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{5-(4-methoxyphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V003-3758 |
| Compound Name: | N-(4-{5-(4-methoxyphenyl)-3-[(propan-2-yl)oxy]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C26 H24 N4 O5 |
| Salt: | not_available |
| Smiles: | CC(C)Oc1nc(c2ccc(cc2)OC)n(c2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.368 |
| logD: | 5.368 |
| logSw: | -5.4076 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.243 |
| InChI Key: | OBXKLLTWNARWRI-UHFFFAOYSA-N |