6-chloro-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0573 |
| Compound Name: | 6-chloro-7-[3-oxo-3-(4-phenylpiperazin-1-yl)propane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C21 H22 Cl N3 O5 S |
| Smiles: | C(CS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.647 |
| logD: | 1.6255 |
| logSw: | -2.8503 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.926 |
| InChI Key: | MYSRABLWBDDEDM-UHFFFAOYSA-N |