benzyl 5-(2,5-dimethylphenyl)-7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 5-(2,5-dimethylphenyl)-7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 5-(2,5-dimethylphenyl)-7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-6945 |
| Compound Name: | benzyl 5-(2,5-dimethylphenyl)-7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 531.67 |
| Molecular Formula: | C30 H33 N3 O4 S |
| Smiles: | CC1=C(C(c2cc(C)ccc2C)N2C(CC(NCC3CCCO3)=O)=CSC2=N1)C(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5131 |
| logD: | 4.5124 |
| logSw: | -4.5557 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.368 |
| InChI Key: | KHRYNGXVYJJEEZ-UHFFFAOYSA-N |