propan-2-yl (4-{N''-[(3-chlorophenyl)carbamoyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido}phenyl)acetate
Chemical Structure Depiction of
propan-2-yl (4-{N''-[(3-chlorophenyl)carbamoyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido}phenyl)acetate
propan-2-yl (4-{N''-[(3-chlorophenyl)carbamoyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido}phenyl)acetate
Compound characteristics
| Compound ID: | Y021-1566 |
| Compound Name: | propan-2-yl (4-{N''-[(3-chlorophenyl)carbamoyl]-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido}phenyl)acetate |
| Molecular Weight: | 494.98 |
| Molecular Formula: | C25 H27 Cl N6 O3 |
| Smiles: | CC(C)OC(Cc1ccc(cc1)N/C(Nc1nc(C)cc(C)n1)=N/C(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6788 |
| logD: | 0.7529 |
| logSw: | -4.6894 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.897 |
| InChI Key: | SDCHWCKXURNQKS-UHFFFAOYSA-N |