N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine
Compound characteristics
Compound ID: | C301-2819 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-amine |
Molecular Weight: | 407.86 |
Molecular Formula: | C21 H18 Cl N5 O2 |
Smiles: | Cc1cc(C)n(c2c(NCc3ccc4c(c3)OCO4)nc3ccc(cc3n2)[Cl])n1 |
Stereo: | ACHIRAL |
logP: | 4.3177 |
logD: | 4.3169 |
logSw: | -4.413 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.966 |
InChI Key: | VZPCOOZIBHXQTI-UHFFFAOYSA-N |