2-[2-(azepane-1-carbonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-[2-(azepane-1-carbonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
2-[2-(azepane-1-carbonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | L592-2040 |
| Compound Name: | 2-[2-(azepane-1-carbonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | C1CCCN(CC1)C(C1C(N(CC(NCc2ccc3c(c2)OCO3)=O)c2ccccc2S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1352 |
| logD: | 3.1352 |
| logSw: | -3.4392 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.907 |
| InChI Key: | RPGKIFFOXCSITI-QHCPKHFHSA-N |