1-[(2-chlorophenyl)methyl]-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
1-[(2-chlorophenyl)methyl]-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
Compound characteristics
| Compound ID: | 8019-1429 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-7,7-dimethyl-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione |
| Molecular Weight: | 454.8 |
| Molecular Formula: | C19 H17 Cl F6 N2 O2 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C(C(F)(F)F)(C(F)(F)F)NC(N2Cc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1993 |
| logD: | -0.7979 |
| logSw: | -5.568 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.55 |
| InChI Key: | HFRQMDMZFMZJKJ-UHFFFAOYSA-N |