3-(azepane-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one
3-(azepane-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | F312-0161 |
| Compound Name: | 3-(azepane-1-sulfonyl)-6-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 321.39 |
| Molecular Formula: | C16 H19 N O4 S |
| Smiles: | Cc1ccc2c(C=C(C(=O)O2)S(N2CCCCCC2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8713 |
| logD: | 2.8713 |
| logSw: | -3.2179 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.202 |
| InChI Key: | ICOAYXVIRVEXOB-UHFFFAOYSA-N |