2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N,N-diethylacetamide
Chemical Structure Depiction of
2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N,N-diethylacetamide
2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N,N-diethylacetamide
Compound characteristics
| Compound ID: | P032-1109 |
| Compound Name: | 2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N,N-diethylacetamide |
| Molecular Weight: | 373.84 |
| Molecular Formula: | C18 H20 Cl N5 O2 |
| Smiles: | CCN(CC)C(CN1C(N2C(C=C(C)N=C2c2cccc(c2)[Cl])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5224 |
| logD: | 2.5046 |
| logSw: | -3.2037 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.4 |
| InChI Key: | RHBDOPKMRGHDHW-UHFFFAOYSA-N |