2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(propan-2-yl)phenyl]acetamide
2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | P032-0679 |
| Compound Name: | 2-[5-(4-chlorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[3-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 435.91 |
| Molecular Formula: | C23 H22 Cl N5 O2 |
| Smiles: | CC(C)c1cccc(c1)NC(CN1C(N2C(C=C(C)N=C2c2ccc(cc2)[Cl])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9996 |
| logD: | 4.9817 |
| logSw: | -5.2462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.873 |
| InChI Key: | GGSMGGDGGBIWAN-UHFFFAOYSA-N |