2-(1-{[4-(methylsulfanyl)phenyl]methyl}-1H-pyrrol-2-yl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
Chemical Structure Depiction of
2-(1-{[4-(methylsulfanyl)phenyl]methyl}-1H-pyrrol-2-yl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
2-(1-{[4-(methylsulfanyl)phenyl]methyl}-1H-pyrrol-2-yl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
Compound characteristics
| Compound ID: | C351-0101 |
| Compound Name: | 2-(1-{[4-(methylsulfanyl)phenyl]methyl}-1H-pyrrol-2-yl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole |
| Molecular Weight: | 314.45 |
| Molecular Formula: | C18 H22 N2 O S |
| Smiles: | CC(C)C1COC(c2cccn2Cc2ccc(cc2)SC)=N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7044 |
| logD: | 4.7044 |
| logSw: | -4.3266 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.4148 |
| InChI Key: | ZULMOHUGBSRWSG-MRXNPFEDSA-N |