3-hexyl-4-methyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexyl-4-methyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
3-hexyl-4-methyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-9218 |
| Compound Name: | 3-hexyl-4-methyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.1471 |
| logD: | 2.0923 |
| logSw: | -4.2523 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.762 |
| InChI Key: | DYUYXHMXZKQJFW-UHFFFAOYSA-N |