N-{4-[7-acetyl-3-(ethylsulfanyl)-10-fluoro-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[7-acetyl-3-(ethylsulfanyl)-10-fluoro-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl}acetamide
N-{4-[7-acetyl-3-(ethylsulfanyl)-10-fluoro-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl}acetamide
Compound characteristics
| Compound ID: | F579-3798 |
| Compound Name: | N-{4-[7-acetyl-3-(ethylsulfanyl)-10-fluoro-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl}acetamide |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C22 H20 F N5 O3 S |
| Smiles: | CCSc1nc2c(c3cc(ccc3N(C(c3ccc(cc3)NC(C)=O)O2)C(C)=O)F)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0997 |
| logD: | 3.0997 |
| logSw: | -3.4694 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.901 |
| InChI Key: | XQMWFFUIUHSMFS-NRFANRHFSA-N |