N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6466-0216 |
| Compound Name: | N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 509.55 |
| Molecular Formula: | C26 H22 F3 N5 O S |
| Smiles: | Cc1ccccc1Cn1cc(cn1)NC(CSc1nc2c3ccccc3CCc2c(C(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9761 |
| logD: | 5.9759 |
| logSw: | -5.3418 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.196 |
| InChI Key: | RHUPRIJWSHZBNV-UHFFFAOYSA-N |