2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 5471-0022 |
| Compound Name: | 2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 455.54 |
| Molecular Formula: | C25 H21 N5 O2 S |
| Smiles: | COc1ccccc1NC(CSc1nc2c(c3ccccc3n2Cc2ccccc2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.629 |
| logD: | 4.6289 |
| logSw: | -4.4261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.789 |
| InChI Key: | ACQJWOPKOGJTNX-UHFFFAOYSA-N |