N-{3-[(adamantan-1-yl)oxy]propyl}-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-{3-[(adamantan-1-yl)oxy]propyl}-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-{3-[(adamantan-1-yl)oxy]propyl}-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-2256 |
| Compound Name: | N-{3-[(adamantan-1-yl)oxy]propyl}-5-[(3-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C28 H35 F N4 O3 |
| Smiles: | C1CN(Cc2cccc(c2)F)C(c2cc(C(NCCCOC34CC5CC(CC(C5)C4)C3)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1617 |
| logD: | 4.1617 |
| logSw: | -4.2159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.897 |
| InChI Key: | HQGGBKRLYTWHHP-UHFFFAOYSA-N |