6-(azepane-1-sulfonyl)-4-[2-(morpholin-4-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[2-(morpholin-4-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[2-(morpholin-4-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-3854 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[2-(morpholin-4-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 437.51 |
| Molecular Formula: | C20 H27 N3 O6 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(N1CCOCC1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8403 |
| logD: | 0.8403 |
| logSw: | -2.3915 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.411 |
| InChI Key: | IGHSSDZDOKMHBQ-UHFFFAOYSA-N |