6-chloro-3,4-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3,4-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
6-chloro-3,4-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-1002 |
| Compound Name: | 6-chloro-3,4-dimethyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 306.71 |
| Molecular Formula: | C13 H11 Cl N4 O3 |
| Smiles: | CC1=C(C)c2cc(c(cc2OC1=O)OCc1nnn[nH]1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6042 |
| logD: | 0.5494 |
| logSw: | -3.5014 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.849 |
| InChI Key: | CGXYYKKOSODLLJ-UHFFFAOYSA-N |