4-[7-acetyl-3-(butylsulfanyl)-10-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
Chemical Structure Depiction of
4-[7-acetyl-3-(butylsulfanyl)-10-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
4-[7-acetyl-3-(butylsulfanyl)-10-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | F579-0971 |
| Compound Name: | 4-[7-acetyl-3-(butylsulfanyl)-10-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C24 H23 N5 O2 S |
| Smiles: | CCCCSc1nc2c(c3cc(C)ccc3N(C(c3ccc(C#N)cc3)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7514 |
| logD: | 4.7514 |
| logSw: | -4.6346 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.695 |
| InChI Key: | GXRPNNSVTOAIQF-QHCPKHFHSA-N |