5-bromo-3'-(methylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Chemical Structure Depiction of
5-bromo-3'-(methylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
5-bromo-3'-(methylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Compound characteristics
| Compound ID: | 2049-0174 |
| Compound Name: | 5-bromo-3'-(methylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one |
| Molecular Weight: | 442.29 |
| Molecular Formula: | C18 H12 Br N5 O2 S |
| Smiles: | CSc1nc2c(c3ccccc3NC3(C(Nc4ccc(cc34)[Br])=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.955 |
| logD: | 3.9538 |
| logSw: | -4.1135 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.003 |
| InChI Key: | AIGZTBAEIUTKPW-SFHVURJKSA-N |