methyl {4-methyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4-methyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}acetate
methyl {4-methyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}acetate
Compound characteristics
Compound ID: | D715-1026 |
Compound Name: | methyl {4-methyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}acetate |
Molecular Weight: | 330.3 |
Molecular Formula: | C15 H14 N4 O5 |
Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCc1nnn[nH]1 |
Stereo: | ACHIRAL |
logP: | 1.039 |
logD: | -1.0158 |
logSw: | -2.3253 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 100.341 |
InChI Key: | FDXCKUNLXKUBME-UHFFFAOYSA-N |