N-(pyridin-3-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(pyridin-3-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
N-(pyridin-3-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | 7213-0145 |
Compound Name: | N-(pyridin-3-yl)-2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 416.42 |
Molecular Formula: | C20 H15 F3 N4 O S |
Smiles: | C1Cc2c(c3ccccc13)nc(nc2C(F)(F)F)SCC(Nc1cccnc1)=O |
Stereo: | ACHIRAL |
logP: | 4.3733 |
logD: | 4.3728 |
logSw: | -4.3105 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.208 |
InChI Key: | XBNARNSJRHDIFI-UHFFFAOYSA-N |