methyl 2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
Compound ID: | 7213-0133 |
Compound Name: | methyl 2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)benzoate |
Molecular Weight: | 473.47 |
Molecular Formula: | C23 H18 F3 N3 O3 S |
Smiles: | COC(c1ccccc1NC(CSc1nc2c3ccccc3CCc2c(C(F)(F)F)n1)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1744 |
logD: | 5.1614 |
logSw: | -4.9935 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.166 |
InChI Key: | IKBZYIWOTNMBMW-UHFFFAOYSA-N |