5-(3-chloro-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(3-chloro-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(3-chloro-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
Compound ID: | G856-6374 |
Compound Name: | 5-(3-chloro-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
Molecular Weight: | 307.82 |
Molecular Formula: | C13 H10 Cl N3 S2 |
Smiles: | C=CCN1C(c2c(c3ccccc3s2)[Cl])=NNC1=S |
Stereo: | ACHIRAL |
logP: | 4.5327 |
logD: | 2.4845 |
logSw: | -4.7369 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 28.5815 |
InChI Key: | FSDOJDRVDMMBLB-UHFFFAOYSA-N |