N-[4-(adamantan-1-yl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
Chemical Structure Depiction of
N-[4-(adamantan-1-yl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
N-[4-(adamantan-1-yl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
Compound characteristics
| Compound ID: | C301-4844 |
| Compound Name: | N-[4-(adamantan-1-yl)phenyl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine |
| Molecular Weight: | 449.6 |
| Molecular Formula: | C29 H31 N5 |
| Smiles: | Cc1cc(C)n(c2c(Nc3ccc(cc3)C34CC5CC(CC(C5)C4)C3)nc3ccccc3n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.4107 |
| logD: | 7.4097 |
| logSw: | -5.9566 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.29 |
| InChI Key: | DEGCPKNXPRABSP-UHFFFAOYSA-N |