1-{4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-phenyl-1H-pyrazol-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-phenyl-1H-pyrazol-1-yl}ethan-1-one
1-{4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-phenyl-1H-pyrazol-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | 4896-4107 |
| Compound Name: | 1-{4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-phenyl-1H-pyrazol-1-yl}ethan-1-one |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C25 H22 N6 O3 S |
| Smiles: | CCSc1nc2c(c3ccccc3N(C(c3cn(C(C)=O)nc3c3ccccc3)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.935 |
| logD: | 2.935 |
| logSw: | -3.4578 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.207 |
| InChI Key: | UFLOUZQYTVXGRO-DEOSSOPVSA-N |