3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | V008-0851 |
| Compound Name: | 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 523.66 |
| Molecular Formula: | C30 H29 N5 O2 S |
| Smiles: | CC1=C(C(N2C(CC(N3CCc4ccccc4C3)=O)=CSC2=N1)=O)c1cc(C)n(c2cc(C)ccc2C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9187 |
| logD: | 4.9187 |
| logSw: | -4.6388 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.406 |
| InChI Key: | MKBWWDLTYJEXKU-UHFFFAOYSA-N |