4-({[(3-methylphenyl)methyl]sulfanyl}methyl)-2-{1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
Chemical Structure Depiction of
4-({[(3-methylphenyl)methyl]sulfanyl}methyl)-2-{1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
4-({[(3-methylphenyl)methyl]sulfanyl}methyl)-2-{1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
Compound characteristics
| Compound ID: | C351-0304 |
| Compound Name: | 4-({[(3-methylphenyl)methyl]sulfanyl}methyl)-2-{1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole |
| Molecular Weight: | 418.6 |
| Molecular Formula: | C26 H30 N2 O S |
| Smiles: | Cc1cccc(CSCC2COC(c3cccn3Cc3c(C)cc(C)cc3C)=N2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4108 |
| logD: | 7.4108 |
| logSw: | -5.7849 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.2491 |
| InChI Key: | PIFIRUSBZQOQOR-HSZRJFAPSA-N |