3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
| Compound ID: | 8012-0514 |
| Compound Name: | 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole |
| Molecular Weight: | 358.82 |
| Molecular Formula: | C17 H12 Cl F N4 S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.5031 |
| logD: | 4.5031 |
| logSw: | -4.6387 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.788 |
| InChI Key: | TXUSCZDMSOFHDV-UHFFFAOYSA-N |