N-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
N-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | E983-1285 |
| Compound Name: | N-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 379.52 |
| Molecular Formula: | C22 H25 N3 O S |
| Smiles: | Cc1ccc(cc1)n1c(C)cc(CNC(Nc2cccc(c2)SC)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.8141 |
| logD: | 4.8141 |
| logSw: | -4.5919 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.528 |
| InChI Key: | XKPGDHYARRVHAX-UHFFFAOYSA-N |