1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | 4896-4699 |
| Compound Name: | 1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 507.01 |
| Molecular Formula: | C25 H23 Cl N6 O2 S |
| Smiles: | CCCC(N1C(c2c(C)nn(c3ccccc3)c2[Cl])Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7255 |
| logD: | 4.7255 |
| logSw: | -4.8663 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.443 |
| InChI Key: | MNIQVFVIDUOVFP-DEOSSOPVSA-N |