N-[1-butyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-cyclohexylpropanamide
Chemical Structure Depiction of
N-[1-butyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-cyclohexylpropanamide
N-[1-butyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-cyclohexylpropanamide
Compound characteristics
Compound ID: | 8019-1703 |
Compound Name: | N-[1-butyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-cyclohexylpropanamide |
Molecular Weight: | 444.45 |
Molecular Formula: | C20 H27 F3 N4 O4 |
Smiles: | CCCCN1C2=C(C(NC1=O)=O)C(C(N2)=O)(C(F)(F)F)NC(CCC1CCCCC1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4771 |
logD: | 1.2811 |
logSw: | -3.5461 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 90.442 |
InChI Key: | FMYMXFGSTIZROW-IBGZPJMESA-N |