1-[6-(3-chlorophenyl)-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-(3-chlorophenyl)-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[6-(3-chlorophenyl)-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | F579-0769 |
| Compound Name: | 1-[6-(3-chlorophenyl)-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 469 |
| Molecular Formula: | C24 H25 Cl N4 O2 S |
| Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCC(C)C)OC(c1cccc(c1)[Cl])N2C(CCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1156 |
| logD: | 6.1156 |
| logSw: | -5.9805 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | PVXBXTJIKHORAI-QHCPKHFHSA-N |