3,4-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3,4-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
3,4-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-0993 |
| Compound Name: | 3,4-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 272.26 |
| Molecular Formula: | C13 H12 N4 O3 |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.538 |
| logD: | -0.5167 |
| logSw: | -2.4154 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.762 |
| InChI Key: | XWZJNKHNVJQGNM-UHFFFAOYSA-N |