methyl 5-(2,5-dimethylphenyl)-7-ethyl-3-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 5-(2,5-dimethylphenyl)-7-ethyl-3-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 5-(2,5-dimethylphenyl)-7-ethyl-3-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V005-4825 |
| Compound Name: | methyl 5-(2,5-dimethylphenyl)-7-ethyl-3-(2-{[(3-fluorophenyl)methyl]amino}-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C27 H28 F N3 O3 S |
| Smiles: | CCC1=C(C(c2cc(C)ccc2C)N2C(CC(NCc3cccc(c3)F)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1754 |
| logD: | 5.1687 |
| logSw: | -5.007 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.637 |
| InChI Key: | OPKSMNHFBSCDDR-RUZDIDTESA-N |