[3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone
Chemical Structure Depiction of
[3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone
[3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone
Compound characteristics
| Compound ID: | 4896-2677 |
| Compound Name: | [3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3NC(C(c3ccccc3)=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6806 |
| logD: | 5.6805 |
| logSw: | -5.396 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.036 |
| InChI Key: | HBFDIRBWHJUCLM-QFIPXVFZSA-N |