5-ethyl-11-oxo-N-[4-(trifluoromethyl)phenyl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
5-ethyl-11-oxo-N-[4-(trifluoromethyl)phenyl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
5-ethyl-11-oxo-N-[4-(trifluoromethyl)phenyl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
Compound characteristics
Compound ID: | S420-0642 |
Compound Name: | 5-ethyl-11-oxo-N-[4-(trifluoromethyl)phenyl]-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide |
Molecular Weight: | 417.43 |
Molecular Formula: | C22 H22 F3 N3 O2 |
Smiles: | CCN1C2CCCCN2C(c2ccc(cc12)C(Nc1ccc(cc1)C(F)(F)F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2488 |
logD: | 4.2488 |
logSw: | -4.2313 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.338 |
InChI Key: | WFGXVVDMOHMCIU-IBGZPJMESA-N |