2-ethyl-6-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-ethyl-6-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one
2-ethyl-6-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-0973 |
| Compound Name: | 2-ethyl-6-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 491.6 |
| Molecular Formula: | C23 H26 F N3 O4 S2 |
| Smiles: | CCC1C(Nc2cc(ccc2S1)S(CCC(N1CCN(CC1)c1ccccc1F)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8445 |
| logD: | 2.8445 |
| logSw: | -3.6188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.233 |
| InChI Key: | JVRSLZHXRWYPDQ-HXUWFJFHSA-N |