N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-2-methoxybenzamide
Chemical Structure Depiction of
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-2-methoxybenzamide
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-2-methoxybenzamide
Compound characteristics
| Compound ID: | 3379-3259 |
| Compound Name: | N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-2-methoxybenzamide |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C21 H22 N2 O6 |
| Smiles: | COc1ccccc1C(NC(=C/c1ccc2c(c1)OCO2)\C(NCCCO)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4417 |
| logD: | -0.5447 |
| logSw: | -2.3818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.091 |
| InChI Key: | XWYMQDHCHPBASG-UHFFFAOYSA-N |