N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-4-propoxybenzamide
Chemical Structure Depiction of
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-4-propoxybenzamide
N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-4-propoxybenzamide
Compound characteristics
| Compound ID: | 3633-0315 |
| Compound Name: | N-{1-(2H-1,3-benzodioxol-5-yl)-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}-4-propoxybenzamide |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C23 H26 N2 O6 |
| Smiles: | CCCOc1ccc(cc1)C(NC(=C\c1ccc2c(c1)OCO2)\C(NCCCO)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5761 |
| logD: | 2.0338 |
| logSw: | -2.9832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.878 |
| InChI Key: | HITJCZHHIIMEDP-UHFFFAOYSA-N |