3-[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
3-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-chlorophenyl acetate
3-[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: | 4896-2808 |
| Compound Name: | 3-[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(ccc3[Cl])OC(C)=O)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6444 |
| logD: | 3.6444 |
| logSw: | -4.0363 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.39 |
| InChI Key: | YALZTANLYRODQL-NRFANRHFSA-N |