2-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl acetate
Chemical Structure Depiction of
2-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl acetate
2-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl acetate
Compound characteristics
| Compound ID: | 4896-2796 |
| Compound Name: | 2-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl acetate |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C23 H22 N4 O4 S |
| Smiles: | CCCSc1nc2c(c3ccccc3N(C(c3ccccc3OC(C)=O)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4262 |
| logD: | 3.4262 |
| logSw: | -3.9211 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.477 |
| InChI Key: | XEPXOWICMRPZIB-QFIPXVFZSA-N |