3-chloro-N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-1-benzothiophene-2-carboxamide
3-chloro-N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 8017-3991 |
| Compound Name: | 3-chloro-N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 368.84 |
| Molecular Formula: | C18 H13 Cl N4 O S |
| Smiles: | Cn1cnnc1c1cccc(c1)NC(c1c(c2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2125 |
| logD: | 4.2125 |
| logSw: | -4.775 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.988 |
| InChI Key: | PXIJWMJHZVQCPY-UHFFFAOYSA-N |