2-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chlorophenyl acetate
Chemical Structure Depiction of
2-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chlorophenyl acetate
2-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chlorophenyl acetate
Compound characteristics
| Compound ID: | 5704-0154 |
| Compound Name: | 2-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chlorophenyl acetate |
| Molecular Weight: | 470.93 |
| Molecular Formula: | C22 H19 Cl N4 O4 S |
| Smiles: | CCSc1nc2c(c3ccccc3N(C(c3cc(ccc3OC(C)=O)[Cl])O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7492 |
| logD: | 3.7492 |
| logSw: | -4.2515 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.477 |
| InChI Key: | WIACPTWMUBZIHR-NRFANRHFSA-N |