3'-(methylsulfanyl)-5-nitro-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Chemical Structure Depiction of
3'-(methylsulfanyl)-5-nitro-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
3'-(methylsulfanyl)-5-nitro-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Compound characteristics
| Compound ID: | 2049-0167 |
| Compound Name: | 3'-(methylsulfanyl)-5-nitro-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one |
| Molecular Weight: | 408.39 |
| Molecular Formula: | C18 H12 N6 O4 S |
| Smiles: | CSc1nc2c(c3ccccc3NC3(C(Nc4ccc(cc34)[N+]([O-])=O)=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9973 |
| logD: | 2.9812 |
| logSw: | -3.8006 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.385 |
| InChI Key: | LYAKRFNUDJMQAC-SFHVURJKSA-N |