1-[6-(2-methoxyphenyl)-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-(2-methoxyphenyl)-10-methyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[6-(2-methoxyphenyl)-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: | F579-1642 |
| Compound Name: | 1-[6-(2-methoxyphenyl)-10-methyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C26 H30 N4 O3 S |
| Smiles: | CCCC(N1C(c2ccccc2OC)Oc2c(c3cc(C)ccc13)nnc(n2)SCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1368 |
| logD: | 6.1368 |
| logSw: | -5.4682 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.274 |
| InChI Key: | OKDMFQDENCHTBP-VWLOTQADSA-N |