N-(2-phenylethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-phenylethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-phenylethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y030-3147 |
| Compound Name: | N-(2-phenylethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 269.3 |
| Molecular Formula: | C16 H15 N O3 |
| Smiles: | C(CNC(c1ccc2c(c1)OCO2)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5427 |
| logD: | 2.5427 |
| logSw: | -3.0127 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.609 |
| InChI Key: | KBJGLIJMWJNSKP-UHFFFAOYSA-N |