2-ethyl-N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
2-ethyl-N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
2-ethyl-N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | G647-2966 |
| Compound Name: | 2-ethyl-N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 456.59 |
| Molecular Formula: | C21 H24 N6 O2 S2 |
| Smiles: | CCC(CC)C(Nc1ccc2c(c1)sc(n2)SCC1=CC(N2C(NC(CC)=N2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0053 |
| logD: | 4.0053 |
| logSw: | -4.0391 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.65 |
| InChI Key: | YSMNJXPWHKNNRQ-UHFFFAOYSA-N |