6-chloro-3-ethyl-4-methyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-ethyl-4-methyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
6-chloro-3-ethyl-4-methyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-1032 |
| Compound Name: | 6-chloro-3-ethyl-4-methyl-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 320.73 |
| Molecular Formula: | C14 H13 Cl N4 O3 |
| Smiles: | CCC1=C(C)c2cc(c(cc2OC1=O)OCc1nnn[nH]1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.007 |
| logD: | 0.9522 |
| logSw: | -3.5733 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.849 |
| InChI Key: | OLMWRTKKROHXBV-UHFFFAOYSA-N |