3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Chemical Structure Depiction of
3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8614 |
| Compound Name: | 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide |
| Molecular Weight: | 441.44 |
| Molecular Formula: | C22 H23 N3 O7 |
| Smiles: | CC1=CC(=C(C(CC(NCCc2c[nH]cn2)=O)c2cc(c3c(c2)OCO3)OC)C(=O)O1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7471 |
| logD: | -2.2446 |
| logSw: | -1.9609 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.136 |
| InChI Key: | WUEQHRAQDDCNFN-HNNXBMFYSA-N |