benzyl 5-(2,4-dimethylphenyl)-7-methyl-3-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 5-(2,4-dimethylphenyl)-7-methyl-3-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 5-(2,4-dimethylphenyl)-7-methyl-3-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0372 |
| Compound Name: | benzyl 5-(2,4-dimethylphenyl)-7-methyl-3-(2-oxo-2-{[(pyridin-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 538.67 |
| Molecular Formula: | C31 H30 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC1=C(C(c2ccc(C)cc2C)N2C(CC(NCc3ccccn3)=O)=CSC2=N1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2797 |
| logD: | 5.279 |
| logSw: | -5.2685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.257 |
| InChI Key: | JDPHAGCPRWYKPW-GDLZYMKVSA-N |