6-chloro-7-[3-(4-ethylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[3-(4-ethylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[3-(4-ethylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0655 |
| Compound Name: | 6-chloro-7-[3-(4-ethylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 415.89 |
| Molecular Formula: | C17 H22 Cl N3 O5 S |
| Smiles: | CCN1CCN(CC1)C(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1745 |
| logD: | -0.1459 |
| logSw: | -2.8299 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.202 |
| InChI Key: | JSUJPCXRHYKJPA-UHFFFAOYSA-N |