1-{6-[4-(dimethylamino)phenyl]-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-[4-(dimethylamino)phenyl]-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
1-{6-[4-(dimethylamino)phenyl]-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | 4896-4290 |
| Compound Name: | 1-{6-[4-(dimethylamino)phenyl]-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C25 H29 N5 O2 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N(C(c3ccc(cc3)N(C)C)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.375 |
| logD: | 5.3663 |
| logSw: | -5.3466 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.444 |
| InChI Key: | HUXGUMWZYNQTEO-DEOSSOPVSA-N |