1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide
Chemical Structure Depiction of
1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide
1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F184-0127 |
| Compound Name: | 1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C22 H25 N3 O5 S2 |
| Smiles: | Cc1cc2c(cc1S(N1CCCC(C1)C(Nc1cccc(c1)SC)=O)(=O)=O)OCC(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1519 |
| logD: | 2.1514 |
| logSw: | -2.8229 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.244 |
| InChI Key: | LVADRGJTBLWICW-HNNXBMFYSA-N |