3-pentyl-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-pentyl-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinazoline-2,4(1H,3H)-dione
3-pentyl-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinazoline-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | C190-0073 |
Compound Name: | 3-pentyl-7-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinazoline-2,4(1H,3H)-dione |
Molecular Weight: | 488.51 |
Molecular Formula: | C25 H27 F3 N4 O3 |
Smiles: | CCCCCN1C(c2ccc(cc2NC1=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7857 |
logD: | 4.7854 |
logSw: | -4.474 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.639 |
InChI Key: | KGBBLUQMMSNQDM-UHFFFAOYSA-N |