2-[7-acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-methylphenyl acetate
Chemical Structure Depiction of
2-[7-acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-methylphenyl acetate
2-[7-acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-methylphenyl acetate
Compound characteristics
| Compound ID: | 4896-4384 |
| Compound Name: | 2-[7-acetyl-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-methylphenyl acetate |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N(C(c3cc(C)ccc3OC(C)=O)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1909 |
| logD: | 5.1909 |
| logSw: | -4.9862 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.477 |
| InChI Key: | USBHADAPXXPCFC-VWLOTQADSA-N |