3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
Compound ID: | 7033-0596 |
Compound Name: | 3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
Molecular Weight: | 314.41 |
Molecular Formula: | C16 H18 N4 O S |
Smiles: | CCCCCCSc1nc2c(c3ccccc3N=CO2)nn1 |
Stereo: | ACHIRAL |
logP: | 4.3279 |
logD: | 4.3279 |
logSw: | -4.4917 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.281 |
InChI Key: | ORFKCRDNLKSEIW-UHFFFAOYSA-N |