N-(4-acetylphenyl)-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-acetylphenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8007-4290 |
| Compound Name: | N-(4-acetylphenyl)-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C22 H19 N5 O2 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nc2c(c3ccccc3n2CC=C)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4656 |
| logD: | 3.4654 |
| logSw: | -3.7437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.933 |
| InChI Key: | DEVZHGLUAQGWAE-UHFFFAOYSA-N |