5-fluoro-3'-(hexylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Chemical Structure Depiction of
5-fluoro-3'-(hexylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
5-fluoro-3'-(hexylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Compound characteristics
| Compound ID: | 4896-2687 |
| Compound Name: | 5-fluoro-3'-(hexylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C23 H22 F N5 O2 S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3NC3(C(Nc4ccc(cc34)F)=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8973 |
| logD: | 5.8961 |
| logSw: | -5.3464 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.003 |
| InChI Key: | XKVJYGNNSCWVAJ-QHCPKHFHSA-N |