N-(2-methylphenyl)-2-(4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-2-(4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-(2-methylphenyl)-2-(4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 2303-0623 |
| Compound Name: | N-(2-methylphenyl)-2-(4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | Cc1ccccc1NC(c1c2CCCCc2sc1NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9606 |
| logD: | 3.6944 |
| logSw: | -4.7575 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.82 |
| InChI Key: | DLBNPUXUYURQGI-UHFFFAOYSA-N |