4-[7-acetyl-10-chloro-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
Chemical Structure Depiction of
4-[7-acetyl-10-chloro-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
4-[7-acetyl-10-chloro-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | F579-4697 |
| Compound Name: | 4-[7-acetyl-10-chloro-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile |
| Molecular Weight: | 423.88 |
| Molecular Formula: | C20 H14 Cl N5 O2 S |
| Smiles: | CC(N1C(c2ccc(C#N)cc2)Oc2c(c3cc(ccc13)[Cl])nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6081 |
| logD: | 3.6081 |
| logSw: | -4.2372 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.695 |
| InChI Key: | YEDNDJDNKJLGGB-LJQANCHMSA-N |