5-(3-hydroxynaphthalen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3-hydroxynaphthalen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3-hydroxynaphthalen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
Compound ID: | 8009-3913 |
Compound Name: | 5-(3-hydroxynaphthalen-2-yl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
Molecular Weight: | 257.31 |
Molecular Formula: | C13 H11 N3 O S |
Smiles: | CN1C(c2cc3ccccc3cc2O)=NNC1=S |
Stereo: | ACHIRAL |
logP: | 3.4237 |
logD: | 2.6709 |
logSw: | -3.9074 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 43.899 |
InChI Key: | INDRBEGHEMXEBV-UHFFFAOYSA-N |