5-ethoxy-2-(2-methylprop-2-en-1-yl)-4-[6-methyl-3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-ethoxy-2-(2-methylprop-2-en-1-yl)-4-[6-methyl-3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-ethoxy-2-(2-methylprop-2-en-1-yl)-4-[6-methyl-3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8016-6479 |
| Compound Name: | 5-ethoxy-2-(2-methylprop-2-en-1-yl)-4-[6-methyl-3-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 416.57 |
| Molecular Formula: | C19 H24 N6 O S2 |
| Smiles: | CCOC1=NN(CC(C)=C)C(N1c1c(c2CCC(C)Cc2s1)c1ncn[nH]1)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2928 |
| logD: | 4.2774 |
| logSw: | -4.2749 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.546 |
| InChI Key: | XGYCCAZBPUFAOM-GFCCVEGCSA-N |