3-benzyl-4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
3-benzyl-4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-1000 |
| Compound Name: | 3-benzyl-4,8-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 362.39 |
| Molecular Formula: | C20 H18 N4 O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.5505 |
| logD: | 1.4958 |
| logSw: | -3.7521 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.262 |
| InChI Key: | STBUDKIRLAIWSI-UHFFFAOYSA-N |