6-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzothiazin-3(4H)-one
6-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-1115 |
| Compound Name: | 6-[3-(4-benzylpiperazin-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | C(CS(c1ccc2c(c1)NC(CS2)=O)(=O)=O)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0089 |
| logD: | 0.976 |
| logSw: | -2.4422 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.757 |
| InChI Key: | ZSAFTEHNVFVDNR-UHFFFAOYSA-N |