7-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
7-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0562 |
| Compound Name: | 7-[3-(azepan-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C17 H21 Cl N2 O5 S |
| Smiles: | C1CCCN(CC1)C(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5076 |
| logD: | 1.4862 |
| logSw: | -2.8784 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.997 |
| InChI Key: | DZASINKWMKQNEM-UHFFFAOYSA-N |