N-(4-acetamidophenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(4-acetamidophenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 5471-0113 |
| Compound Name: | N-(4-acetamidophenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C22 H20 N6 O2 S |
| Smiles: | CC(Nc1ccc(cc1)NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1248 |
| logD: | 3.1248 |
| logSw: | -3.2183 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.368 |
| InChI Key: | OXIBQPHHOYOOTE-UHFFFAOYSA-N |