4-[7-acetyl-3-(pentylsulfanyl)-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-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl acetate
4-[7-acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 4896-4507 |
| Compound Name: | 4-[7-acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenyl acetate |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C26 H28 N4 O5 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N(C(c3ccc(c(c3)OC)OC(C)=O)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8306 |
| logD: | 4.8306 |
| logSw: | -4.7354 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.107 |
| InChI Key: | FYYBEGJXEHECMK-VWLOTQADSA-N |