2-(azepane-1-carbonyl)-6-(4-ethylpiperazine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-6-(4-ethylpiperazine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
2-(azepane-1-carbonyl)-6-(4-ethylpiperazine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | L305-1741 |
| Compound Name: | 2-(azepane-1-carbonyl)-6-(4-ethylpiperazine-1-sulfonyl)-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 466.62 |
| Molecular Formula: | C21 H30 N4 O4 S2 |
| Smiles: | CCN1CCN(CC1)S(c1ccc2c(c1)NC(C(C(N1CCCCCC1)=O)S2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0653 |
| logD: | 1.9784 |
| logSw: | -2.928 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.343 |
| InChI Key: | KRSBWHPICTWIKK-IBGZPJMESA-N |