N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | G305-1521 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C22 H25 N3 O5 S2 |
| Smiles: | CSc1ccc(CCNC(C2CCCN(C2)S(c2ccc3c(c2)OC(N3)=O)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.579 |
| logD: | 2.5454 |
| logSw: | -3.118 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.555 |
| InChI Key: | OBYPVSKBCZPXKQ-INIZCTEOSA-N |