4-[7-butanoyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
Chemical Structure Depiction of
4-[7-butanoyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
4-[7-butanoyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | F579-0232 |
| Compound Name: | 4-[7-butanoyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C23 H21 N5 O2 S |
| Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCC)OC(c1ccc(C#N)cc1)N2C(CCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4022 |
| logD: | 4.4022 |
| logSw: | -4.3594 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.7 |
| InChI Key: | MGVIZAONVUEYOH-QFIPXVFZSA-N |