1-[6-(4-methylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[6-(4-methylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[6-(4-methylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | 4896-5190 |
| Compound Name: | 1-[6-(4-methylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CCC(N1C(c2ccc(C)cc2)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1669 |
| logD: | 4.1669 |
| logSw: | -4.3364 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | QJYUMVMESRQQQI-FQEVSTJZSA-N |