2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide
2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | 8009-9517 |
| Compound Name: | 2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 507.2 |
| Molecular Formula: | C18 H13 Br2 N5 O S |
| Smiles: | Cn1c2ccc(cc2c2c1nc(nn2)SCC(Nc1ccc(cc1)[Br])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.671 |
| logD: | 4.6709 |
| logSw: | -4.3789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.938 |
| InChI Key: | MPZDYCPUDGLIDP-UHFFFAOYSA-N |