6-chloro-7-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0635 |
| Compound Name: | 6-chloro-7-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C18 H23 Cl N2 O5 S |
| Smiles: | CC1CC(C)CN(C1)C(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.927 |
| logD: | 1.9055 |
| logSw: | -3.0192 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.533 |
| InChI Key: | OSENSGGJDBFTIV-UHFFFAOYSA-N |