N-{2-[ethyl(phenyl)amino]ethyl}-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-{2-[ethyl(phenyl)amino]ethyl}-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-{2-[ethyl(phenyl)amino]ethyl}-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
Compound ID: | SB25-1117 |
Compound Name: | N-{2-[ethyl(phenyl)amino]ethyl}-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
Molecular Weight: | 448.54 |
Molecular Formula: | C26 H29 F N4 O2 |
Smiles: | CCN(CCNC(C1CCC2=C(CC1)N=C(c1ccc(cc1)F)NC2=O)=O)c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3967 |
logD: | 2.3153 |
logSw: | -3.5159 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.438 |
InChI Key: | XKQSNOSSBHLVTK-LJQANCHMSA-N |