3-(benzylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(benzylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(benzylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6969-0926 |
| Compound Name: | 3-(benzylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C17 H12 N4 O S |
| Smiles: | C(c1ccccc1)Sc1nc2c(c3ccccc3N=CO2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.9401 |
| logD: | 2.9401 |
| logSw: | -3.6255 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.01 |
| InChI Key: | XVHCTDBEPGSYFT-UHFFFAOYSA-N |