N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide
Compound characteristics
| Compound ID: | V022-2274 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{6-[1-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}acetamide |
| Molecular Weight: | 543.6 |
| Molecular Formula: | C28 H25 N5 O5 S |
| Smiles: | CC1=C(C(N2C(CC(NCc3ccc4c(c3)OCO4)=O)=CSC2=N1)=O)c1cc(C)n(c2ccccc2OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0547 |
| logD: | 3.0547 |
| logSw: | -3.3811 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.569 |
| InChI Key: | QXNLBGVXJRROCN-UHFFFAOYSA-N |