N-(3-methylphenyl)-2-(4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(3-methylphenyl)-2-(4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-(3-methylphenyl)-2-(4-nitrobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 3759-1448 |
| Compound Name: | N-(3-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: | Cc1cccc(c1)NC(c1c2CCCCc2sc1NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3275 |
| logD: | 4.0613 |
| logSw: | -5.2913 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.517 |
| InChI Key: | RNYPEGPRVWWSRY-UHFFFAOYSA-N |