N-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
N-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | E983-1364 |
| Compound Name: | N-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 399.94 |
| Molecular Formula: | C21 H22 Cl N3 O S |
| Smiles: | Cc1cc(CNC(Nc2cccc(c2)SC)=O)c(C)n1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9854 |
| logD: | 4.9854 |
| logSw: | -5.0546 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.528 |
| InChI Key: | GMOKJOQXSGLJLU-UHFFFAOYSA-N |