5-bromo-3'-(butylsulfanyl)-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'-(butylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
5-bromo-3'-(butylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Compound characteristics
| Compound ID: | 2049-1938 |
| Compound Name: | 5-bromo-3'-(butylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one |
| Molecular Weight: | 484.37 |
| Molecular Formula: | C21 H18 Br N5 O2 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC3(C(Nc4ccc(cc34)[Br])=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3727 |
| logD: | 5.3715 |
| logSw: | -5.2317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.003 |
| InChI Key: | WYDKKIHOXPNVNL-NRFANRHFSA-N |