N-{2-[(propan-2-yl)carbamoyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-[(propan-2-yl)carbamoyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{2-[(propan-2-yl)carbamoyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y031-0857 |
| Compound Name: | N-{2-[(propan-2-yl)carbamoyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C18 H18 N2 O4 |
| Smiles: | CC(C)NC(c1ccccc1NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8308 |
| logD: | 2.8289 |
| logSw: | -3.6054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.406 |
| InChI Key: | UMUNIQSPHJTKPF-UHFFFAOYSA-N |