1-[3-(butylsulfanyl)-6-(4-fluorophenyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(butylsulfanyl)-6-(4-fluorophenyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(butylsulfanyl)-6-(4-fluorophenyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-0980 |
| Compound Name: | 1-[3-(butylsulfanyl)-6-(4-fluorophenyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C23 H23 F N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3cc(C)ccc3N(C(c3ccc(cc3)F)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1261 |
| logD: | 5.1261 |
| logSw: | -5.0443 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | HIUPITKOQDHFHY-QFIPXVFZSA-N |