5-chloro-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-chloro-3'-(ethylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
5-chloro-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: | 4896-4369 |
| Compound Name: | 5-chloro-3'-(ethylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one |
| Molecular Weight: | 411.87 |
| Molecular Formula: | C19 H14 Cl N5 O2 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC3(C(Nc4ccc(cc34)[Cl])=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1587 |
| logD: | 4.1575 |
| logSw: | -4.5332 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.003 |
| InChI Key: | HFCJHVREZARONC-IBGZPJMESA-N |