6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2-methyl-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2-methyl-2H-1,4-benzothiazin-3(4H)-one
6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2-methyl-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-1321 |
| Compound Name: | 6-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropane-1-sulfonyl}-2-methyl-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 494.03 |
| Molecular Formula: | C22 H24 Cl N3 O4 S2 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(CCC(N1CCN(CC1)c1cccc(c1)[Cl])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7326 |
| logD: | 2.7326 |
| logSw: | -3.6336 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.534 |
| InChI Key: | ASHZKXPWZRMAGY-OAHLLOKOSA-N |