2-methoxyethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(2,4-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-(2,4-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-(2,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V019-4166 |
| Compound Name: | 2-methoxyethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(2,4-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(cc2OC)OC)N2C(CC(NCc3ccc4c(c3)OCO4)=O)=CSC2=N1)C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1115 |
| logD: | 3.1106 |
| logSw: | -3.3848 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.536 |
| InChI Key: | BXUTWQUPVIPVNN-HHHXNRCGSA-N |