4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl 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]-2-methoxyphenyl acetate
4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 4896-2661 |
| Compound Name: | 4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl acetate |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C23 H22 N4 O5 S |
| Smiles: | CCSc1nc2c(c3ccccc3N(C(c3ccc(c(c3)OC)OC(C)=O)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1325 |
| logD: | 3.1325 |
| logSw: | -3.5399 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.107 |
| InChI Key: | JRIROVRPNSIQFE-QFIPXVFZSA-N |