methyl {4,8-dimethyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4,8-dimethyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}acetate
methyl {4,8-dimethyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | D715-1027 |
| Compound Name: | methyl {4,8-dimethyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 344.32 |
| Molecular Formula: | C16 H16 N4 O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.6141 |
| logD: | -0.4406 |
| logSw: | -2.267 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.112 |
| InChI Key: | QJEVNXFZDAPKHU-UHFFFAOYSA-N |