methyl 5-(4-chlorophenyl)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 5-(4-chlorophenyl)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl 5-(4-chlorophenyl)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V012-1827 |
| Compound Name: | methyl 5-(4-chlorophenyl)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C26 H24 Cl N3 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)[Cl])N2C(CC(N3CCc4ccccc4C3)=O)=CSC2=N1)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8117 |
| logD: | 4.8111 |
| logSw: | -5.0891 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.613 |
| InChI Key: | AJBGFIGGWZFGKD-DEOSSOPVSA-N |