N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-2-chlorobenzamide
Chemical Structure Depiction of
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-2-chlorobenzamide
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-2-chlorobenzamide
Compound characteristics
| Compound ID: | 3379-3182 |
| Compound Name: | N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-2-chlorobenzamide |
| Molecular Weight: | 402.83 |
| Molecular Formula: | C20 H19 Cl N2 O5 |
| Smiles: | C(CNC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccccc1[Cl])=O)=O)CO |
| Stereo: | ACHIRAL |
| logP: | 2.0719 |
| logD: | 0.4231 |
| logSw: | -3.2366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.46 |
| InChI Key: | HKPGDNWXUITZGG-UHFFFAOYSA-N |