methyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(3,5-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(3,5-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(3,5-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-1943 |
| Compound Name: | methyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(3,5-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 537.59 |
| Molecular Formula: | C27 H27 N3 O7 S |
| Smiles: | CC1=C(C(c2cc(cc(c2)OC)OC)N2C(CC(NCc3ccc4c(c3)OCO4)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4537 |
| logD: | 3.4531 |
| logSw: | -3.7427 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.233 |
| InChI Key: | KNXNAFKCSLMZLO-VWLOTQADSA-N |