7-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0069 |
| Compound Name: | 7-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C18 H24 N2 O5 S |
| Smiles: | Cc1cc2c(cc1S(CCC(N1CCCCCC1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2482 |
| logD: | 1.248 |
| logSw: | -2.2695 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.997 |
| InChI Key: | VXEZSVYNZDGNSS-UHFFFAOYSA-N |