4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl acetate
Chemical Structure Depiction of
4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl acetate
4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl acetate
Compound characteristics
| Compound ID: | 5704-0456 |
| Compound Name: | 4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl acetate |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | CCSc1nc2c(c3ccccc3N(C(c3ccc(cc3)OC(C)=O)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0661 |
| logD: | 3.0661 |
| logSw: | -3.6169 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.39 |
| InChI Key: | FVEMTVHDPZAROX-NRFANRHFSA-N |