2-[5-(3-methylthiophen-2-yl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[5-(3-methylthiophen-2-yl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[5-(3-methylthiophen-2-yl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4073-0152 |
| Compound Name: | 2-[5-(3-methylthiophen-2-yl)-1H-1,2,4-triazol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 326.44 |
| Molecular Formula: | C16 H14 N4 S2 |
| Smiles: | Cc1ccsc1c1ncnn1c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3637 |
| logD: | 4.3636 |
| logSw: | -4.495 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 43.894 |
| InChI Key: | GFDJZMCMJNJNGT-UHFFFAOYSA-N |