N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}pyrimidine-2-carboxamide
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | SC87-0679 |
| Compound Name: | N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}pyrimidine-2-carboxamide |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H20 F N5 O2 |
| Smiles: | C1CC2=C(CCC1CNC(c1ncccn1)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0579 |
| logD: | -0.0235 |
| logSw: | -1.9465 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.041 |
| InChI Key: | MLNJYHPDQGZAFD-CYBMUJFWSA-N |