9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3451 |
| Compound Name: | 9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-(trifluoromethyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 436.43 |
| Molecular Formula: | C21 H23 F3 N4 O3 |
| Smiles: | CCOc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)Nc2nc(C(F)(F)F)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8474 |
| logD: | 0.0509 |
| logSw: | -4.121 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.457 |
| InChI Key: | QUIKLCATXJUQAV-KRWDZBQOSA-N |