2-[6-(3,5-dimethylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(propylsulfanyl)propyl]acetamide
Chemical Structure Depiction of
2-[6-(3,5-dimethylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(propylsulfanyl)propyl]acetamide
2-[6-(3,5-dimethylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(propylsulfanyl)propyl]acetamide
Compound characteristics
| Compound ID: | C700-1144 |
| Compound Name: | 2-[6-(3,5-dimethylpiperidine-1-sulfonyl)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-N-[3-(propylsulfanyl)propyl]acetamide |
| Molecular Weight: | 497.68 |
| Molecular Formula: | C23 H35 N3 O5 S2 |
| Smiles: | CCCSCCCNC(CN1C(COc2ccc(cc12)S(N1CC(C)CC(C)C1)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.861 |
| logD: | 2.861 |
| logSw: | -3.5763 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.231 |
| InChI Key: | XATFTGGDTDYRTD-UHFFFAOYSA-N |