N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | G760-0171 |
| Compound Name: | N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C23 H23 N5 O S |
| Smiles: | Cc1c(CNC(Nc2cccc(c2)SC)=O)c(n2cccc2)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.776 |
| logD: | 4.776 |
| logSw: | -4.6131 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.073 |
| InChI Key: | HLSFRLMFVOXIDR-UHFFFAOYSA-N |