3-(2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]propanamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]propanamide
3-(2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | 8020-8625 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]propanamide |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C21 H21 N3 O6 |
| Smiles: | CC1=CC(=C(C(CC(NCCc2c[nH]cn2)=O)c2ccc3c(c2)OCO3)C(=O)O1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8295 |
| logD: | -2.1622 |
| logSw: | -2.103 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.821 |
| InChI Key: | BAGFKDJVHQFKGM-HNNXBMFYSA-N |