N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D101-0489 |
| Compound Name: | N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 337.33 |
| Molecular Formula: | C18 H15 N3 O4 |
| Smiles: | Cc1ccc(cc1)c1nc(CNC(c2ccc3c(c2)OCO3)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7288 |
| logD: | 3.7288 |
| logSw: | -3.9295 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.11 |
| InChI Key: | XQVDQECSKDLXNL-UHFFFAOYSA-N |