5,10'-dibromo-3'-(ethylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Chemical Structure Depiction of
5,10'-dibromo-3'-(ethylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
5,10'-dibromo-3'-(ethylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Compound characteristics
| Compound ID: | 6469-0232 |
| Compound Name: | 5,10'-dibromo-3'-(ethylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one |
| Molecular Weight: | 535.21 |
| Molecular Formula: | C19 H13 Br2 N5 O2 S |
| Smiles: | CCSc1nc2c(c3cc(ccc3NC3(C(Nc4ccc(cc34)[Br])=O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2904 |
| logD: | 5.2892 |
| logSw: | -5.2951 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.003 |
| InChI Key: | OLDWXKDCEWHQKL-IBGZPJMESA-N |