N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-1109 |
| Compound Name: | N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(4-fluorophenyl)-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: | CCN(Cc1cnn(CC)c1)C(C1CCC2=C(CC1)N=C(c1ccc(cc1)F)NC2=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.116 |
| logD: | 1.0346 |
| logSw: | -2.7183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.631 |
| InChI Key: | SJXYMVGZNDAQCJ-GOSISDBHSA-N |