2-(dodecylsulfanyl)-5-(7,8,9-triazatricyclo[4.3.0.0~7,9~]nona-1,3,5-trien-8-yl)benzene-1,4-diol
Chemical Structure Depiction of
2-(dodecylsulfanyl)-5-(7,8,9-triazatricyclo[4.3.0.0~7,9~]nona-1,3,5-trien-8-yl)benzene-1,4-diol
2-(dodecylsulfanyl)-5-(7,8,9-triazatricyclo[4.3.0.0~7,9~]nona-1,3,5-trien-8-yl)benzene-1,4-diol
Compound characteristics
Compound ID: | 8007-9417 |
Compound Name: | 2-(dodecylsulfanyl)-5-(7,8,9-triazatricyclo[4.3.0.0~7,9~]nona-1,3,5-trien-8-yl)benzene-1,4-diol |
Molecular Weight: | 427.61 |
Molecular Formula: | C24 H33 N3 O2 S |
Smiles: | CCCCCCCCCCCCSc1cc(c(cc1O)n1n2c3ccccc3n12)O |
Stereo: | ACHIRAL |
logP: | 8.4142 |
logD: | 8.4135 |
logSw: | -5.7187 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 36.663 |
InChI Key: | DJOYLZLEGMJMAN-UHFFFAOYSA-N |