2-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | G808-0065 |
| Compound Name: | 2-{[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 398.51 |
| Molecular Formula: | C18 H18 N6 O S2 |
| Smiles: | Cc1cc(C)n2c(nnc2n1)SCC1=CC(N2C3CCCCC=3SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8357 |
| logD: | 1.8357 |
| logSw: | -1.9964 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.79 |
| InChI Key: | SSDNXLUBXBZCIN-UHFFFAOYSA-N |