4-ethyl-9-oxo-N-[3-(trifluoromethyl)phenyl]-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Chemical Structure Depiction of
4-ethyl-9-oxo-N-[3-(trifluoromethyl)phenyl]-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
4-ethyl-9-oxo-N-[3-(trifluoromethyl)phenyl]-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Compound characteristics
Compound ID: | S411-0034 |
Compound Name: | 4-ethyl-9-oxo-N-[3-(trifluoromethyl)phenyl]-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide |
Molecular Weight: | 403.4 |
Molecular Formula: | C21 H20 F3 N3 O2 |
Smiles: | CCN1C2CCCN2C(c2ccc(cc12)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9564 |
logD: | 3.9557 |
logSw: | -4.0738 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.704 |
InChI Key: | FUQKEZPVPYVHID-GOSISDBHSA-N |