N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-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}-5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | SC87-0645 |
| Compound Name: | N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}-5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C25 H25 F N6 O3 |
| Smiles: | Cc1c(Cn2cccn2)c(C(NCC2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0738 |
| logD: | 0.9924 |
| logSw: | -2.6736 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.361 |
| InChI Key: | GFPCNDXBWBIFEF-MRXNPFEDSA-N |