2-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethyl)-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethyl)-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethyl)-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
Compound ID: | SB25-1093 |
Compound Name: | 2-(4-fluorophenyl)-4-oxo-N-(2-phenoxyethyl)-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
Molecular Weight: | 421.47 |
Molecular Formula: | C24 H24 F N3 O3 |
Smiles: | C1CC2=C(CCC1C(NCCOc1ccccc1)=O)N=C(c1ccc(cc1)F)NC2=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3637 |
logD: | 2.2823 |
logSw: | -3.3965 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.865 |
InChI Key: | QBIQOKZBQAOKAU-QGZVFWFLSA-N |