N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6466-0220 |
| Compound Name: | N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-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: | Cc1ccc(Cn2ccc(NC(CSc3nc4c5ccccc5CCc4c(C(F)(F)F)n3)=O)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7401 |
| logD: | 5.7395 |
| logSw: | -5.3922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.646 |
| InChI Key: | NNNYNBNDEDJABX-UHFFFAOYSA-N |