2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-[(4-fluorophenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-[(4-fluorophenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-[(4-fluorophenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-5177 |
| Compound Name: | 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-[(4-fluorophenyl)methyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C24 H25 F N4 O |
| Smiles: | C1CN(CCC2=C1C(NC(=N2)N1CCc2ccccc2C1)=O)Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.3531 |
| logD: | 3.0769 |
| logSw: | -3.3527 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.461 |
| InChI Key: | HWFXMRYMGLXQKK-UHFFFAOYSA-N |