N-(4-acetylphenyl)-2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(4-acetylphenyl)-2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8008-9355 |
| Compound Name: | N-(4-acetylphenyl)-2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C26 H21 N5 O2 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nc2c(c3ccccc3n2Cc2ccccc2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.418 |
| logD: | 4.4177 |
| logSw: | -4.287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.683 |
| InChI Key: | JDFSSBHZVJJRMG-UHFFFAOYSA-N |