3-hexyl-4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexyl-4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
3-hexyl-4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-3525 |
| Compound Name: | 3-hexyl-4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C19 H24 N4 O3 |
| Smiles: | CCCCCCC1=C(C)c2ccc(c(C)c2OC1=O)OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.7222 |
| logD: | 2.6674 |
| logSw: | -4.5922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.534 |
| InChI Key: | OWQAQSZEBWWIOR-UHFFFAOYSA-N |