N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 6466-0219 |
| Compound Name: | N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 523.58 |
| Molecular Formula: | C27 H24 F3 N5 O S |
| Smiles: | Cc1c(c(C)n(Cc2ccccc2)n1)NC(CSc1nc2c3ccccc3CCc2c(C(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0769 |
| logD: | 5.0768 |
| logSw: | -4.8366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.576 |
| InChI Key: | CEGWDCNWKHKDMT-UHFFFAOYSA-N |