1-[10-chloro-3-(ethylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[10-chloro-3-(ethylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[10-chloro-3-(ethylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | F579-4418 |
| Compound Name: | 1-[10-chloro-3-(ethylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 494.92 |
| Molecular Formula: | C22 H18 Cl F3 N4 O2 S |
| Smiles: | CCC(N1C(c2ccc(cc2)C(F)(F)F)Oc2c(c3cc(ccc13)[Cl])nnc(n2)SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7835 |
| logD: | 5.7835 |
| logSw: | -6.0267 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | NRRUWNZAEMNSIB-HXUWFJFHSA-N |