1-{8,10-dimethyl-3-[(2-methylpropyl)sulfanyl]-6-[4-(propan-2-yl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{8,10-dimethyl-3-[(2-methylpropyl)sulfanyl]-6-[4-(propan-2-yl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
1-{8,10-dimethyl-3-[(2-methylpropyl)sulfanyl]-6-[4-(propan-2-yl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F579-2444 |
| Compound Name: | 1-{8,10-dimethyl-3-[(2-methylpropyl)sulfanyl]-6-[4-(propan-2-yl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one |
| Molecular Weight: | 476.64 |
| Molecular Formula: | C27 H32 N4 O2 S |
| Smiles: | CC(C)CSc1nc2c(c3cc(C)cc(C)c3N(C(c3ccc(cc3)C(C)C)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9541 |
| logD: | 6.9541 |
| logSw: | -5.6498 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.796 |
| InChI Key: | YXRIWYXPHHQDSS-SANMLTNESA-N |