3-(4,7-dimethoxy-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-(4,7-dimethoxy-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-(4,7-dimethoxy-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: | 8020-8635 |
| Compound Name: | 3-(4,7-dimethoxy-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: | 507.5 |
| Molecular Formula: | C26 H25 N3 O8 |
| Smiles: | COc1cc(C(CC(NCCc2c[nH]cn2)=O)C2=C(c3ccccc3OC2=O)O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0004 |
| logD: | -1.5186 |
| logSw: | -2.4822 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.626 |
| InChI Key: | PIHQLUQMFJNKJE-INIZCTEOSA-N |