N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | G305-1337 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C20 H21 N3 O5 S2 |
| Smiles: | CSc1cccc(c1)NC(C1CCCN(C1)S(c1ccc2c(c1)OC(N2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4582 |
| logD: | 2.4246 |
| logSw: | -2.9485 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.392 |
| InChI Key: | UWKRICRMVHTVTO-ZDUSSCGKSA-N |