N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide
N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 8015-8587 |
| Compound Name: | N-[3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(2H-1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 454.48 |
| Molecular Formula: | C26 H22 N4 O4 |
| Smiles: | C(CNC(/C(=C/c1ccc2c(c1)OCO2)NC(c1ccccc1)=O)=O)c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.551 |
| logD: | 2.7896 |
| logSw: | -3.9017 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.815 |
| InChI Key: | ZZXKSLJTOMRCED-UHFFFAOYSA-N |