2-(3,4-dimethylphenoxy)-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-(3,4-dimethylphenoxy)-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-(3,4-dimethylphenoxy)-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | G566-0297 |
| Compound Name: | 2-(3,4-dimethylphenoxy)-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C25 H22 N4 O4 S2 |
| Smiles: | CC1=CC2=NC(CSc3nc4ccc(cc4s3)NC(COc3ccc(C)c(C)c3)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8824 |
| logD: | 4.8823 |
| logSw: | -4.6892 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.889 |
| InChI Key: | RYQLYKBZXMWDCK-UHFFFAOYSA-N |