6-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methyl-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methyl-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one
6-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methyl-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E912-0686 |
| Compound Name: | 6-{3-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methyl-3-oxopropane-1-sulfonyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C23 H27 N3 O5 S2 |
| Smiles: | CC(CS(c1ccc2c(c1)NC(CS2)=O)(=O)=O)C(N1CCN(CC1)c1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8583 |
| logD: | 1.8582 |
| logSw: | -2.7958 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.548 |
| InChI Key: | UJCCPQUKBPIKKD-INIZCTEOSA-N |