N-(4-acetamidophenyl)-2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(4-acetamidophenyl)-2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 6290-0059 |
| Compound Name: | N-(4-acetamidophenyl)-2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C23 H24 N6 O2 S |
| Smiles: | CCCCn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7885 |
| logD: | 3.7885 |
| logSw: | -3.8077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.368 |
| InChI Key: | MDSZUHOJNMNHJP-UHFFFAOYSA-N |