N-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
N-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | E983-1917 |
| Compound Name: | N-{[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | Cc1cc(CNC(Nc2cccc(c2)SC)=O)c(C)n1c1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1675 |
| logD: | 4.1675 |
| logSw: | -4.2794 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.858 |
| InChI Key: | WKIRVYXMMASOCS-UHFFFAOYSA-N |