ethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V020-0457 |
| Compound Name: | ethyl 3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-(4-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 526.01 |
| Molecular Formula: | C26 H24 Cl N3 O5 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])N2C(CC(NCc3ccc4c(c3)OCO4)=O)=CSC2=NC=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5444 |
| logD: | 4.5432 |
| logSw: | -4.9191 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.726 |
| InChI Key: | NMGZGRJIVFPEEN-DEOSSOPVSA-N |