4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chlorophenyl acetate
Chemical Structure Depiction of
4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chlorophenyl acetate
4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chlorophenyl acetate
Compound characteristics
| Compound ID: | 4896-4839 |
| Compound Name: | 4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chlorophenyl acetate |
| Molecular Weight: | 498.99 |
| Molecular Formula: | C24 H23 Cl N4 O4 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3N(C(c3ccc(c(c3)[Cl])OC(C)=O)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7372 |
| logD: | 4.7372 |
| logSw: | -4.9413 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.477 |
| InChI Key: | YHRLPVPFVYCQLE-QHCPKHFHSA-N |