1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8019-1495 |
| Compound Name: | 1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione |
| Molecular Weight: | 458.76 |
| Molecular Formula: | C18 H14 Cl F7 N2 O2 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C(C(F)(F)F)(C(F)(F)F)NC(N2c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7631 |
| logD: | -3.3742 |
| logSw: | -4.8891 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.938 |
| InChI Key: | JBCLPJHQJNDLPR-UHFFFAOYSA-N |