4-[7-acetyl-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-[7-acetyl-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenyl acetate
4-[7-acetyl-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | 4896-5119 |
| Compound Name: | 4-[7-acetyl-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 552.65 |
| Molecular Formula: | C28 H32 N4 O6 S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3N(C(c3cc(c(c(c3)OC)OC(C)=O)OC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1847 |
| logD: | 5.1847 |
| logSw: | -4.969 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.824 |
| InChI Key: | QPMSGEZBBRRBGD-MHZLTWQESA-N |