2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzothiazin-3(4H)-one
2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | L592-2133 |
| Compound Name: | 2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 494.62 |
| Molecular Formula: | C25 H30 N6 O3 S |
| Smiles: | C1CCCN(CC1)C(C1C(N(CC(N2CCN(CC2)c2ncccn2)=O)c2ccccc2S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3727 |
| logD: | 2.3727 |
| logSw: | -2.5823 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.336 |
| InChI Key: | XQGZVGXHHJDAMB-QFIPXVFZSA-N |