2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | P032-1669 |
| Compound Name: | 2-[5-(3-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 425.92 |
| Molecular Formula: | C22 H24 Cl N5 O2 |
| Smiles: | CC1=CC2=NN(CC(NCCC3CCCCC=3)=O)C(N2C(c2cccc(c2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4151 |
| logD: | 3.3974 |
| logSw: | -3.8032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.229 |
| InChI Key: | WVGHPQFMWJGKKC-UHFFFAOYSA-N |