ethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-[3-(benzyloxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-[3-(benzyloxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-[3-(benzyloxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-7876 |
| Compound Name: | ethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-[3-(benzyloxy)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 597.69 |
| Molecular Formula: | C33 H31 N3 O6 S |
| Smiles: | CCOC(C1C(c2cccc(c2)OCc2ccccc2)N2C(CC(NCc3ccc4c(c3)OCO4)=O)=CSC2=NC=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4028 |
| logD: | 5.4016 |
| logSw: | -5.4839 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.953 |
| InChI Key: | RHGQBTYLSVBWST-WJOKGBTCSA-N |