4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-0999 |
| Compound Name: | 4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 272.26 |
| Molecular Formula: | C13 H12 N4 O3 |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2C)OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.5939 |
| logD: | -0.4609 |
| logSw: | -2.3501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.019 |
| InChI Key: | VTQHMUGVIAYMAD-UHFFFAOYSA-N |