N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | G542-2595 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-[(3-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C28 H33 N5 O2 |
| Smiles: | Cc1cccc(CN2CCCn3c(cc(C(NCCCN4CCc5ccccc5C4)=O)n3)C2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3913 |
| logD: | 2.2415 |
| logSw: | -3.567 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.281 |
| InChI Key: | ZBXPELQPRANEPB-UHFFFAOYSA-N |