2-[(4-methylphenyl)methylidene]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-[(4-methylphenyl)methylidene]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-[(4-methylphenyl)methylidene]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | C700-0841 |
| Compound Name: | 2-[(4-methylphenyl)methylidene]-3-oxo-N-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C24 H27 N3 O2 S |
| Smiles: | Cc1ccc(\C=C2/C(Nc3cc(ccc3S2)C(NCCCN2CCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9382 |
| logD: | 0.9057 |
| logSw: | -3.8722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.448 |
| InChI Key: | ADVYZFALYGZPEN-UHFFFAOYSA-N |