ethyl 3-{4-methyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{4-methyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{4-methyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | D715-1030 |
| Compound Name: | ethyl 3-{4-methyl-2-oxo-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 358.35 |
| Molecular Formula: | C17 H18 N4 O5 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(cc2OC1=O)OCc1nnn[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9273 |
| logD: | -0.1275 |
| logSw: | -2.7672 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.921 |
| InChI Key: | XNAUTFDACZANEG-UHFFFAOYSA-N |