propan-2-yl {4-[N''-(4-chlorobenzene-1-sulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}acetate
Chemical Structure Depiction of
propan-2-yl {4-[N''-(4-chlorobenzene-1-sulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}acetate
propan-2-yl {4-[N''-(4-chlorobenzene-1-sulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}acetate
Compound characteristics
| Compound ID: | 5161-0064 |
| Compound Name: | propan-2-yl {4-[N''-(4-chlorobenzene-1-sulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)carbamimidamido]phenyl}acetate |
| Molecular Weight: | 516.02 |
| Molecular Formula: | C24 H26 Cl N5 O4 S |
| Smiles: | CC(C)OC(Cc1ccc(cc1)N\C(Nc1nc(C)cc(C)n1)=N/S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5414 |
| logD: | 4.5412 |
| logSw: | -4.5971 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.987 |
| InChI Key: | AMTLPKLRAJIRIR-UHFFFAOYSA-N |