N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8018-0169 |
| Compound Name: | N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C18 H18 N4 O S |
| Smiles: | Cn1cnnc1c1cccc(c1)NC(c1csc2CCCCc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5703 |
| logD: | 3.5703 |
| logSw: | -3.9384 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.181 |
| InChI Key: | PAKAZBDZDQUELZ-UHFFFAOYSA-N |