1-{6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}butan-1-one
Chemical Structure Depiction of
1-{6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}butan-1-one
1-{6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}butan-1-one
Compound characteristics
| Compound ID: | 4896-5064 |
| Compound Name: | 1-{6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}butan-1-one |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CCCC(N1C(c2ccc(cc2)N(C)C)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4375 |
| logD: | 4.4289 |
| logSw: | -4.4599 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.449 |
| InChI Key: | DAVYRIRXDQBWOI-QFIPXVFZSA-N |