2-{2-[(4-ethylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{2-[(4-ethylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
2-{2-[(4-ethylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | C312-1749 |
| Compound Name: | 2-{2-[(4-ethylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C25 H29 N3 O2 S |
| Smiles: | CCc1ccc(\C=C2/C(N(CC(NCCN3CCCC3)=O)c3ccccc3S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2153 |
| logD: | 2.2765 |
| logSw: | -4.0149 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.731 |
| InChI Key: | PSWFSYAPWHNTQY-UHFFFAOYSA-N |