7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-fluorophenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-fluorophenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-fluorophenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
Compound characteristics
| Compound ID: | SB25-1121 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-fluorophenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C25 H24 F N3 O2 |
| Smiles: | C1CC2=C(CCC1C(N1CCc3ccccc3C1)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5544 |
| logD: | 2.473 |
| logSw: | -3.4902 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.503 |
| InChI Key: | SPUYPPJQTMPRRH-GOSISDBHSA-N |