3-chloro-N-(2-methyl-4-nitrophenyl)-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-(2-methyl-4-nitrophenyl)-1-benzothiophene-2-carboxamide
3-chloro-N-(2-methyl-4-nitrophenyl)-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y070-0766 |
| Compound Name: | 3-chloro-N-(2-methyl-4-nitrophenyl)-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 346.79 |
| Molecular Formula: | C16 H11 Cl N2 O3 S |
| Smiles: | Cc1cc(ccc1NC(c1c(c2ccccc2s1)[Cl])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8456 |
| logD: | 4.7012 |
| logSw: | -5.1113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.76 |
| InChI Key: | PTWAVKNFTAJVKE-UHFFFAOYSA-N |