N-{1-(2H-1,3-benzodioxol-5-yl)-3-oxo-3-[4-(pentyloxy)anilino]prop-1-en-2-yl}-2-chlorobenzamide
Chemical Structure Depiction of
N-{1-(2H-1,3-benzodioxol-5-yl)-3-oxo-3-[4-(pentyloxy)anilino]prop-1-en-2-yl}-2-chlorobenzamide
N-{1-(2H-1,3-benzodioxol-5-yl)-3-oxo-3-[4-(pentyloxy)anilino]prop-1-en-2-yl}-2-chlorobenzamide
Compound characteristics
| Compound ID: | 2628-3124 |
| Compound Name: | N-{1-(2H-1,3-benzodioxol-5-yl)-3-oxo-3-[4-(pentyloxy)anilino]prop-1-en-2-yl}-2-chlorobenzamide |
| Molecular Weight: | 506.99 |
| Molecular Formula: | C28 H27 Cl N2 O5 |
| Smiles: | CCCCCOc1ccc(cc1)NC(/C(=C\c1ccc2c(c1)OCO2)NC(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6096 |
| logD: | 6.2514 |
| logSw: | -6.1236 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.787 |
| InChI Key: | ABTSLEGCXXUZFM-UHFFFAOYSA-N |