2-{2-[(4-chlorophenyl)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-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
2-{2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | C312-0825 |
| Compound Name: | 2-{2-[(4-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide |
| Molecular Weight: | 441.98 |
| Molecular Formula: | C23 H24 Cl N3 O2 S |
| Smiles: | C1CCN(C1)CCNC(CN1C(/C(=C\c2ccc(cc2)[Cl])Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8793 |
| logD: | 1.9406 |
| logSw: | -4.6277 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.731 |
| InChI Key: | ISISNWXZDZHVFC-UHFFFAOYSA-N |