[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
[1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | E558-0068 |
| Compound Name: | [1-(adamantan-1-yl)-4-nitro-1H-pyrazol-3-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C23 H26 N4 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3904 |
| logD: | 4.3904 |
| logSw: | -4.3391 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.225 |
| InChI Key: | UTRPYNWBQAMVGE-UHFFFAOYSA-N |