ethyl 3-{2-[(5-chloro-2-methoxyanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{2-[(5-chloro-2-methoxyanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
ethyl 3-{2-[(5-chloro-2-methoxyanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate
Compound characteristics
Compound ID: | D433-1666 |
Compound Name: | ethyl 3-{2-[(5-chloro-2-methoxyanilino)methyl]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoate |
Molecular Weight: | 419.87 |
Molecular Formula: | C19 H22 Cl N5 O4 |
Smiles: | CCOC(CCC1=C(C)Nc2nc(CNc3cc(ccc3OC)[Cl])nn2C1=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7921 |
logD: | 1.1077 |
logSw: | -3.4948 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.84 |
InChI Key: | MEEHDXCUEUABPL-UHFFFAOYSA-N |