[3-(methylsulfanyl)-6-(thiophen-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Chemical Structure Depiction of
[3-(methylsulfanyl)-6-(thiophen-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
[3-(methylsulfanyl)-6-(thiophen-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Compound characteristics
| Compound ID: | 5511-0207 |
| Compound Name: | [3-(methylsulfanyl)-6-(thiophen-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C22 H16 N4 O2 S2 |
| Smiles: | CSc1nc2c(c3ccccc3N(C(c3ccsc3)O2)C(c2ccccc2)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2185 |
| logD: | 4.2185 |
| logSw: | -4.491 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.918 |
| InChI Key: | PHPRAFBJVKMTKH-NRFANRHFSA-N |