ethyl 5-acetyl-4-methyl-2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-4-methyl-2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
ethyl 5-acetyl-4-methyl-2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6466-0181 |
| Compound Name: | ethyl 5-acetyl-4-methyl-2-(2-{[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl}acetamido)thiophene-3-carboxylate |
| Molecular Weight: | 549.59 |
| Molecular Formula: | C25 H22 F3 N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(CSc1nc2c3ccccc3CCc2c(C(F)(F)F)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4067 |
| logD: | 2.8336 |
| logSw: | -5.4007 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.065 |
| InChI Key: | JQLZJWRBZVZFDX-UHFFFAOYSA-N |