3-{[(2-chlorophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
3-{[(2-chlorophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | Y020-0269 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 326.8 |
| Molecular Formula: | C16 H11 Cl N4 S |
| Smiles: | C(c1ccccc1[Cl])Sc1nc2c(c3ccccc3[nH]2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.9602 |
| logD: | 3.9602 |
| logSw: | -4.2568 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.535 |
| InChI Key: | BUWZNQAPWHNMKF-UHFFFAOYSA-N |