N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)-3-nitrobenzamide
N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)-3-nitrobenzamide
Compound characteristics
Compound ID: | D433-0130 |
Compound Name: | N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)-3-nitrobenzamide |
Molecular Weight: | 420.4 |
Molecular Formula: | C21 H17 F N6 O3 |
Smiles: | Cc1cc(C)n2c(n1)nc(CN(C(c1cccc(c1)[N+]([O-])=O)=O)c1ccc(cc1)F)n2 |
Stereo: | ACHIRAL |
logP: | 2.8049 |
logD: | 2.8049 |
logSw: | -3.1709 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 80.553 |
InChI Key: | DKJJMPMFNCZRLB-UHFFFAOYSA-N |