4-propyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-propyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
4-propyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-0996 |
| Compound Name: | 4-propyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 286.29 |
| Molecular Formula: | C14 H14 N4 O3 |
| Smiles: | CCCC1=CC(=O)Oc2cc(ccc12)OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.9345 |
| logD: | -0.1203 |
| logSw: | -2.8562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.248 |
| InChI Key: | BQDGEDFIIGLRBJ-UHFFFAOYSA-N |