4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-5-chloro-2-methoxyphenyl 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]-5-chloro-2-methoxyphenyl acetate
4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-5-chloro-2-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 4896-4446 |
| Compound Name: | 4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-5-chloro-2-methoxyphenyl acetate |
| Molecular Weight: | 529.01 |
| Molecular Formula: | C25 H25 Cl N4 O5 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3N(C(c3cc(c(cc3[Cl])OC(C)=O)OC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7395 |
| logD: | 4.7395 |
| logSw: | -4.9328 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.107 |
| InChI Key: | CKLGKJICVSHOMZ-DEOSSOPVSA-N |