N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-2,6-dimethoxypyridine-3-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}-2,6-dimethoxypyridine-3-carboxamide
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-2,6-dimethoxypyridine-3-carboxamide
Compound characteristics
| Compound ID: | SC87-0620 |
| Compound Name: | N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-2,6-dimethoxypyridine-3-carboxamide |
| Molecular Weight: | 452.48 |
| Molecular Formula: | C24 H25 F N4 O4 |
| Smiles: | COc1ccc(C(NCC2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)c(n1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7148 |
| logD: | 2.6334 |
| logSw: | -4.1312 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.967 |
| InChI Key: | ABWYJFHRXYICGJ-CQSZACIVSA-N |