2-{6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-hexylacetamide
Chemical Structure Depiction of
2-{6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-hexylacetamide
2-{6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-hexylacetamide
Compound characteristics
| Compound ID: | V022-0181 |
| Compound Name: | 2-{6-[1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazol-3-yl]-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-hexylacetamide |
| Molecular Weight: | 491.66 |
| Molecular Formula: | C27 H33 N5 O2 S |
| Smiles: | CCCCCCNC(CC1=CSC2=NC(C)=C(C(N12)=O)c1cc(C)n(c2cc(C)ccc2C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8763 |
| logD: | 4.8763 |
| logSw: | -4.5478 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.936 |
| InChI Key: | CFCJZNYHCPKHRF-UHFFFAOYSA-N |