ethyl {2-[N''-benzoyl-N'-(3-chloro-2-methylphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate
Chemical Structure Depiction of
ethyl {2-[N''-benzoyl-N'-(3-chloro-2-methylphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate
ethyl {2-[N''-benzoyl-N'-(3-chloro-2-methylphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate
Compound characteristics
| Compound ID: | Y021-1814 |
| Compound Name: | ethyl {2-[N''-benzoyl-N'-(3-chloro-2-methylphenyl)carbamimidamido]-6-oxo-3,6-dihydropyrimidin-4-yl}acetate |
| Molecular Weight: | 467.91 |
| Molecular Formula: | C23 H22 Cl N5 O4 |
| Smiles: | CCOC(CC1=CC(N=C(N1)NC(\Nc1cccc(c1C)[Cl])=N/C(c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4231 |
| logD: | 1.1926 |
| logSw: | -3.7544 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.803 |
| InChI Key: | FSSDSZNJICBTPK-UHFFFAOYSA-N |