5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | 7682-0305 |
| Compound Name: | 5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C14 H11 N5 O S2 |
| Smiles: | Cc1nc2NC(CSc3nc4ccccc4s3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6486 |
| logD: | 0.3803 |
| logSw: | -3.0792 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.035 |
| InChI Key: | XDVLKAZZVYQALR-UHFFFAOYSA-N |