N-[3-(methylsulfanyl)phenyl]-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Compound characteristics
| Compound ID: | F510-0090 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[3-oxo-6-(pyrrolidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C22 H23 N3 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(CN1C(CSc2ccc(cc12)C(N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8802 |
| logD: | 2.8802 |
| logSw: | -3.4996 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.783 |
| InChI Key: | CFOLUBGIDSVBCF-UHFFFAOYSA-N |