1-[10-chloro-3-(methylsulfanyl)-6-{4-[(propan-2-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[10-chloro-3-(methylsulfanyl)-6-{4-[(propan-2-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[10-chloro-3-(methylsulfanyl)-6-{4-[(propan-2-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | F579-4681 |
| Compound Name: | 1-[10-chloro-3-(methylsulfanyl)-6-{4-[(propan-2-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 485 |
| Molecular Formula: | C24 H25 Cl N4 O3 S |
| Smiles: | CCCC(N1C(c2ccc(cc2)OC(C)C)Oc2c(c3cc(ccc13)[Cl])nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.781 |
| logD: | 5.781 |
| logSw: | -6.0129 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.446 |
| InChI Key: | NLSTXRMEZHCMCV-HSZRJFAPSA-N |