3-(azepane-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
3-(azepane-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | F312-0067 |
Compound Name: | 3-(azepane-1-sulfonyl)-8-methoxy-2H-1-benzopyran-2-one |
Molecular Weight: | 337.39 |
Molecular Formula: | C16 H19 N O5 S |
Smiles: | COc1cccc2C=C(C(=O)Oc12)S(N1CCCCCC1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4647 |
logD: | 2.4647 |
logSw: | -2.7299 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 60.517 |
InChI Key: | VGOPLWABVDCKNQ-UHFFFAOYSA-N |