3-(azepane-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
3-(azepane-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | F312-0063 |
| Compound Name: | 3-(azepane-1-sulfonyl)-6-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 337.39 |
| Molecular Formula: | C16 H19 N O5 S |
| Smiles: | COc1ccc2c(C=C(C(=O)O2)S(N2CCCCCC2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5205 |
| logD: | 2.5205 |
| logSw: | -2.9582 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.746 |
| InChI Key: | SPNJCABGGDNYFQ-UHFFFAOYSA-N |