2-(4-fluorophenyl)-4-oxo-N-[(pyrazin-2-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-4-oxo-N-[(pyrazin-2-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
2-(4-fluorophenyl)-4-oxo-N-[(pyrazin-2-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0867 |
| Compound Name: | 2-(4-fluorophenyl)-4-oxo-N-[(pyrazin-2-yl)methyl]-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H20 F N5 O2 |
| Smiles: | C1CC2=C(CCC1C(NCc1cnccn1)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1692 |
| logD: | 0.0878 |
| logSw: | -1.5536 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.667 |
| InChI Key: | PVSMASQHFSSBKQ-CQSZACIVSA-N |