1-[6-(2,6-dichlorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[6-(2,6-dichlorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[6-(2,6-dichlorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | 4896-5219 |
| Compound Name: | 1-[6-(2,6-dichlorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 447.34 |
| Molecular Formula: | C20 H16 Cl2 N4 O2 S |
| Smiles: | CCC(N1C(c2c(cccc2[Cl])[Cl])Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2212 |
| logD: | 4.2212 |
| logSw: | -4.4451 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | INRQVNBKPXLVSV-IBGZPJMESA-N |