N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-N-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-N-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-N-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0887 |
| Compound Name: | N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-N-methyl-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C24 H28 F N5 O2 |
| Smiles: | CCn1cc(CN(C)C(C2CCC3=C(CC2)N=C(c2ccc(cc2)F)NC3=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1481 |
| logD: | 1.0667 |
| logSw: | -2.67 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.198 |
| InChI Key: | KYTRWVIUZYVQAL-QGZVFWFLSA-N |