2-({[5-(3-methylphenyl)-4H-1,2,4-triazol-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-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | G072-0845 |
| Compound Name: | 2-({[5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C20 H19 N5 O S2 |
| Smiles: | Cc1cccc(c1)c1nnc([nH]1)SCC1=CC(N2C3CCCCC=3SC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.239 |
| logD: | 2.187 |
| logSw: | -3.4062 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.61 |
| InChI Key: | DXJZSRBAUXCUAT-UHFFFAOYSA-N |