7-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
7-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0618 |
| Compound Name: | 7-[3-(4-benzylpiperidin-1-yl)-3-oxopropane-1-sulfonyl]-6-chloro-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 476.98 |
| Molecular Formula: | C23 H25 Cl N2 O5 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9826 |
| logD: | 2.9611 |
| logSw: | -3.5088 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.394 |
| InChI Key: | CWTUNRRORSGFCY-UHFFFAOYSA-N |