4-butyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
4-butyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-0991 |
| Compound Name: | 4-butyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 300.31 |
| Molecular Formula: | C15 H16 N4 O3 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.4146 |
| logD: | 0.3598 |
| logSw: | -3.0703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.248 |
| InChI Key: | NXWZCTGTOSNKGY-UHFFFAOYSA-N |