5-(3-chlorophenyl)-7-methyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Chemical Structure Depiction of
5-(3-chlorophenyl)-7-methyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
5-(3-chlorophenyl)-7-methyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P032-1118 |
| Compound Name: | 5-(3-chlorophenyl)-7-methyl-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl][1,2,4]triazolo[4,3-c]pyrimidin-3(2H)-one |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C20 H22 Cl N5 O2 |
| Smiles: | CC1CCCN(C1)C(CN1C(N2C(C=C(C)N=C2c2cccc(c2)[Cl])=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0086 |
| logD: | 2.9908 |
| logSw: | -3.4641 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.05 |
| InChI Key: | HICZYOZBUDZWBN-ZDUSSCGKSA-N |