3-(3,4-dimethoxyphenyl)-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
3-(3,4-dimethoxyphenyl)-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-1023 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C19 H16 N4 O5 |
| Smiles: | COc1ccc(cc1OC)C1=Cc2ccc(cc2OC1=O)OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.9898 |
| logD: | -0.065 |
| logSw: | -2.6843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.752 |
| InChI Key: | YTYIIPKSEJJKDN-UHFFFAOYSA-N |