2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | 8009-8888 |
| Compound Name: | 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 462.75 |
| Molecular Formula: | C18 H13 Br Cl N5 O S |
| Smiles: | Cn1c2ccc(cc2c2c1nc(nn2)SCC(Nc1ccc(cc1)[Cl])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4318 |
| logD: | 4.4317 |
| logSw: | -4.6217 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.938 |
| InChI Key: | GNCXVQRQHVCGGR-UHFFFAOYSA-N |