prop-2-en-1-yl 5-[3-(benzyloxy)phenyl]-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
prop-2-en-1-yl 5-[3-(benzyloxy)phenyl]-7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
prop-2-en-1-yl 5-[3-(benzyloxy)phenyl]-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: | V020-0367 |
| Compound Name: | prop-2-en-1-yl 5-[3-(benzyloxy)phenyl]-7-methyl-3-(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 559.68 |
| Molecular Formula: | C31 H33 N3 O5 S |
| Smiles: | CC1=C(C(c2cccc(c2)OCc2ccccc2)N2C(CC(NCC3CCCO3)=O)=CSC2=N1)C(=O)OCC=C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9495 |
| logD: | 3.9494 |
| logSw: | -4.0838 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.786 |
| InChI Key: | PYSQJCDHJMMKCI-UHFFFAOYSA-N |