4-[3-(butylsulfanyl)-8,10-dimethyl-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
Chemical Structure Depiction of
4-[3-(butylsulfanyl)-8,10-dimethyl-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
4-[3-(butylsulfanyl)-8,10-dimethyl-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | F579-1709 |
| Compound Name: | 4-[3-(butylsulfanyl)-8,10-dimethyl-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile |
| Molecular Weight: | 473.6 |
| Molecular Formula: | C26 H27 N5 O2 S |
| Smiles: | CCCCSc1nc2c(c3cc(C)cc(C)c3N(C(c3ccc(C#N)cc3)O2)C(CC)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0493 |
| logD: | 6.0493 |
| logSw: | -5.4377 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.857 |
| InChI Key: | VWQRACIAGFJQHT-VWLOTQADSA-N |