N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}isoquinoline-1-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}isoquinoline-1-carboxamide
N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}isoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | SC87-1184 |
| Compound Name: | N-{[2-(4-fluorophenyl)-4-oxo-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidin-7-yl]methyl}isoquinoline-1-carboxamide |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C26 H23 F N4 O2 |
| Smiles: | C1CC2=C(CCC1CNC(c1c3ccccc3ccn1)=O)N=C(c1ccc(cc1)F)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4118 |
| logD: | 2.3304 |
| logSw: | -3.3029 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.153 |
| InChI Key: | MFZQAYULFQEPIM-MRXNPFEDSA-N |