benzyl 7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-6819 |
| Compound Name: | benzyl 7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 595.72 |
| Molecular Formula: | C34 H33 N3 O5 S |
| Smiles: | CC1=C(C(c2cccc(c2)Oc2ccccc2)N2C(CC(NCC3CCCO3)=O)=CSC2=N1)C(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2087 |
| logD: | 5.2086 |
| logSw: | -5.2309 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.116 |
| InChI Key: | JEVWBMNRCBVGIH-UHFFFAOYSA-N |