diethyl 1-{2-[(4-fluorophenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-{2-[(4-fluorophenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
diethyl 1-{2-[(4-fluorophenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
Compound ID: | C200-1947 |
Compound Name: | diethyl 1-{2-[(4-fluorophenyl)carbamamido]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate |
Molecular Weight: | 407.36 |
Molecular Formula: | C17 H18 F N5 O6 |
Smiles: | CCOC(c1c(C(=O)OCC)n(CC(NC(Nc2ccc(cc2)F)=O)=O)nn1)=O |
Stereo: | ACHIRAL |
logP: | 1.5148 |
logD: | 1.4946 |
logSw: | -2.2978 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 114.022 |
InChI Key: | XHIAZBQTCNGAEA-UHFFFAOYSA-N |