3-(2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]propanamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]propanamide
3-(2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | 8020-8633 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]propanamide |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C24 H21 N3 O6 |
| Smiles: | C(CNC(CC(C1=C(c2ccccc2OC1=O)O)c1ccc2c(c1)OCO2)=O)c1c[nH]cn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4028 |
| logD: | -1.1162 |
| logSw: | -2.4334 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.91 |
| InChI Key: | FNEOFTWREADZDZ-KRWDZBQOSA-N |