N-tert-butyl-N'-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}urea
Chemical Structure Depiction of
N-tert-butyl-N'-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}urea
N-tert-butyl-N'-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}urea
Compound characteristics
| Compound ID: | P772-0040 |
| Compound Name: | N-tert-butyl-N'-{1-[5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl}urea |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C29 H32 F N5 O S |
| Smiles: | Cc1ccc(cc1)n1c(C(Cc2ccccc2)NC(NC(C)(C)C)=O)nnc1SCc1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6876 |
| logD: | 5.6876 |
| logSw: | -5.4119 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.386 |
| InChI Key: | CGMZOTCUEKYLKE-VWLOTQADSA-N |