N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-(3-fluoro-4-methylphenyl)urea
Chemical Structure Depiction of
N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-(3-fluoro-4-methylphenyl)urea
N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-(3-fluoro-4-methylphenyl)urea
Compound characteristics
| Compound ID: | F781-0427 |
| Compound Name: | N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}-N'-(3-fluoro-4-methylphenyl)urea |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C27 H23 F N6 O S |
| Smiles: | Cc1ccc(cc1F)NC(Nc1ccccc1Sc1c(C)c(C)nc2nc(c3ccccc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7567 |
| logD: | 6.7565 |
| logSw: | -5.6769 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.688 |
| InChI Key: | QLSBDXQHCUWBFX-UHFFFAOYSA-N |