benzyl 7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5-[4-(propan-2-yl)phenyl]-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-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
benzyl 7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V025-2687 |
| Compound Name: | benzyl 7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5-[4-(propan-2-yl)phenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 545.7 |
| Molecular Formula: | C31 H35 N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)C1C(=C(C)N=C2N1C(CC(NCC1CCCO1)=O)=CS2)C(=O)OCc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9041 |
| logD: | 4.9039 |
| logSw: | -4.8561 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.368 |
| InChI Key: | NBNKJRHYPUIMLJ-UHFFFAOYSA-N |