2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
Compound characteristics
| Compound ID: | Y041-5591 |
| Compound Name: | 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide |
| Molecular Weight: | 387.43 |
| Molecular Formula: | C20 H25 N3 O5 |
| Smiles: | Cc1c(CNC(COc2cc(c3C(CC(C)(C)Oc3c2)=O)O)=O)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3067 |
| logD: | 1.3061 |
| logSw: | -1.9479 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.906 |
| InChI Key: | MMNZDCJDEBMESN-UHFFFAOYSA-N |