N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SB25-0414 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-2-phenyl-4,5,6,7,8,9-hexahydro-3H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C27 H30 N4 O2 |
| Smiles: | C1CC2=C(CCC1C(NCCN1CCc3ccccc3C1)=O)N=C(c1ccccc1)NC2=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9946 |
| logD: | 2.9946 |
| logSw: | -3.1839 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.092 |
| InChI Key: | QYRHSWIZOZZJLC-OAQYLSRUSA-N |