3-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
3-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
3-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 4896-3469 |
| Compound Name: | 3-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C23 H18 N4 O2 S |
| Smiles: | C(c1ccccc1)Sc1nc2c(c3ccccc3NC(c3cccc(c3)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3679 |
| logD: | 4.3524 |
| logSw: | -4.1881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.643 |
| InChI Key: | XDFYUPOFQINFEI-NRFANRHFSA-N |