methyl 4-{2-[2-(azepane-1-carbonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(azepane-1-carbonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamido}benzoate
methyl 4-{2-[2-(azepane-1-carbonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L592-2184 |
| Compound Name: | methyl 4-{2-[2-(azepane-1-carbonyl)-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamido}benzoate |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(C(C(N2CCCCCC2)=O)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7351 |
| logD: | 3.7349 |
| logSw: | -4.0125 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.644 |
| InChI Key: | OIKIDGJFELWPED-QFIPXVFZSA-N |