2-methoxyethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2-methoxyethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
Compound ID: | V019-4165 |
Compound Name: | 2-methoxyethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(3,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
Molecular Weight: | 581.64 |
Molecular Formula: | C29 H31 N3 O8 S |
Smiles: | CC1=C(C(c2ccc(c(c2)OC)OC)N2C(CC(NCc3ccc4c(c3)OCO4)=O)=CSC2=N1)C(=O)OCCOC |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6881 |
logD: | 2.6869 |
logSw: | -3.0712 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 97.623 |
InChI Key: | IHFKVGGYORTQHR-HHHXNRCGSA-N |