4-[7-acetyl-3-(ethylsulfanyl)-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-(ethylsulfanyl)-10-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
4-[7-acetyl-3-(ethylsulfanyl)-10-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | F579-1151 |
| Compound Name: | 4-[7-acetyl-3-(ethylsulfanyl)-10-methyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C22 H19 N5 O2 S |
| Smiles: | CCSc1nc2c(c3cc(C)ccc3N(C(c3ccc(C#N)cc3)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.734 |
| logD: | 3.734 |
| logSw: | -3.9426 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.695 |
| InChI Key: | AFJJDEZXTQSBMV-NRFANRHFSA-N |