2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Chemical Structure Depiction of
2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
Compound characteristics
| Compound ID: | C312-0560 |
| Compound Name: | 2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | Cc1ccc(\C=C2/C(N(CC(NCCCN3CCCC3=O)=O)c3ccccc3S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7168 |
| logD: | 2.7168 |
| logSw: | -3.1792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.895 |
| InChI Key: | LPCMAWLHOSTVTR-UHFFFAOYSA-N |