1-[6-(4-chlorophenyl)-10-methyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[6-(4-chlorophenyl)-10-methyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[6-(4-chlorophenyl)-10-methyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | F579-1613 |
| Compound Name: | 1-[6-(4-chlorophenyl)-10-methyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 483.03 |
| Molecular Formula: | C25 H27 Cl N4 O2 S |
| Smiles: | CCCC(N1C(c2ccc(cc2)[Cl])Oc2c(c3cc(C)ccc13)nnc(n2)SCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6305 |
| logD: | 6.6305 |
| logSw: | -6.2308 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | DYWXZKZOOBRWGK-DEOSSOPVSA-N |