ethyl 4-[7,7-dimethyl-2,5-dioxo-4,4-bis(trifluoromethyl)-3,4,5,6,7,8-hexahydroquinazolin-1(2H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[7,7-dimethyl-2,5-dioxo-4,4-bis(trifluoromethyl)-3,4,5,6,7,8-hexahydroquinazolin-1(2H)-yl]benzoate
ethyl 4-[7,7-dimethyl-2,5-dioxo-4,4-bis(trifluoromethyl)-3,4,5,6,7,8-hexahydroquinazolin-1(2H)-yl]benzoate
Compound characteristics
| Compound ID: | 7591-0835 |
| Compound Name: | ethyl 4-[7,7-dimethyl-2,5-dioxo-4,4-bis(trifluoromethyl)-3,4,5,6,7,8-hexahydroquinazolin-1(2H)-yl]benzoate |
| Molecular Weight: | 478.39 |
| Molecular Formula: | C21 H20 F6 N2 O4 |
| Smiles: | CCOC(c1ccc(cc1)N1C2CC(C)(C)CC(C=2C(C(F)(F)F)(C(F)(F)F)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7697 |
| logD: | -2.4281 |
| logSw: | -4.5196 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.692 |
| InChI Key: | CRNRSPSCKUXAAB-UHFFFAOYSA-N |