4-[(benzylsulfanyl)methyl]-2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
Chemical Structure Depiction of
4-[(benzylsulfanyl)methyl]-2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
4-[(benzylsulfanyl)methyl]-2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
Compound characteristics
| Compound ID: | C351-0036 |
| Compound Name: | 4-[(benzylsulfanyl)methyl]-2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole |
| Molecular Weight: | 376.52 |
| Molecular Formula: | C23 H24 N2 O S |
| Smiles: | Cc1ccc(Cn2cccc2C2=NC(CO2)CSCc2ccccc2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3426 |
| logD: | 5.3425 |
| logSw: | -5.4624 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.2491 |
| InChI Key: | IQHLYRXDVDEEOB-OAQYLSRUSA-N |