N-(4-acetamidophenyl)-2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(4-acetamidophenyl)-2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 5471-0111 |
| Compound Name: | N-(4-acetamidophenyl)-2-[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C26 H22 N6 O2 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSc1nc2c(c3ccccc3n2Cc2ccccc2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0771 |
| logD: | 4.0771 |
| logSw: | -4.1693 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.118 |
| InChI Key: | OPEAVSOLVDIKQG-UHFFFAOYSA-N |