N-[2-(2,4-dichlorophenyl)ethyl]-2-{7-methyl-6-[5-methyl-1-(3-methylphenyl)-1H-pyrazol-3-yl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
Chemical Structure Depiction of
N-[2-(2,4-dichlorophenyl)ethyl]-2-{7-methyl-6-[5-methyl-1-(3-methylphenyl)-1H-pyrazol-3-yl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
N-[2-(2,4-dichlorophenyl)ethyl]-2-{7-methyl-6-[5-methyl-1-(3-methylphenyl)-1H-pyrazol-3-yl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
Compound characteristics
| Compound ID: | V004-5533 |
| Compound Name: | N-[2-(2,4-dichlorophenyl)ethyl]-2-{7-methyl-6-[5-methyl-1-(3-methylphenyl)-1H-pyrazol-3-yl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide |
| Molecular Weight: | 566.51 |
| Molecular Formula: | C28 H25 Cl2 N5 O2 S |
| Smiles: | CC1=C(C(N2C(CC(NCCc3ccc(cc3[Cl])[Cl])=O)=CSC2=N1)=O)c1cc(C)n(c2cccc(C)c2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1936 |
| logD: | 5.1936 |
| logSw: | -5.6243 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.966 |
| InChI Key: | OESSTGLSTVLKKP-UHFFFAOYSA-N |