2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-4-[2-(methylsulfanyl)ethyl]-4,5-dihydro-1,3-oxazole
Chemical Structure Depiction of
2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-4-[2-(methylsulfanyl)ethyl]-4,5-dihydro-1,3-oxazole
2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-4-[2-(methylsulfanyl)ethyl]-4,5-dihydro-1,3-oxazole
Compound characteristics
| Compound ID: | C351-0029 |
| Compound Name: | 2-{1-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl}-4-[2-(methylsulfanyl)ethyl]-4,5-dihydro-1,3-oxazole |
| Molecular Weight: | 314.45 |
| Molecular Formula: | C18 H22 N2 O S |
| Smiles: | Cc1ccc(Cn2cccc2C2=NC(CCSC)CO2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1392 |
| logD: | 4.1392 |
| logSw: | -4.1474 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.5206 |
| InChI Key: | UZMRHPHWKXWFIH-INIZCTEOSA-N |