4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1,3-phenylene diacetate
Chemical Structure Depiction of
4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1,3-phenylene diacetate
4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1,3-phenylene diacetate
Compound characteristics
| Compound ID: | 4896-3735 |
| Compound Name: | 4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-1,3-phenylene diacetate |
| Molecular Weight: | 522.58 |
| Molecular Formula: | C26 H26 N4 O6 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3N(C(c3ccc(cc3OC(C)=O)OC(C)=O)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.626 |
| logD: | 3.626 |
| logSw: | -3.8287 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.228 |
| InChI Key: | YKPTZAUYFKVQKA-VWLOTQADSA-N |