2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethan-1-one
Chemical Structure Depiction of
2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethan-1-one
2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 3698-0114 |
| Compound Name: | 2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-phenylethan-1-one |
| Molecular Weight: | 410.5 |
| Molecular Formula: | C24 H18 N4 O S |
| Smiles: | C(c1ccccc1)n1c2ccccc2c2c1nc(nn2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.898 |
| logD: | 4.898 |
| logSw: | -5.1434 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.954 |
| InChI Key: | UMIOHPGEXIWAPK-UHFFFAOYSA-N |