4-amino-2-(2-ethoxyanilino)-5-(3-nitrobenzoyl)thiophene-3-carbonitrile
Chemical Structure Depiction of
4-amino-2-(2-ethoxyanilino)-5-(3-nitrobenzoyl)thiophene-3-carbonitrile
4-amino-2-(2-ethoxyanilino)-5-(3-nitrobenzoyl)thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | K264-0007 |
| Compound Name: | 4-amino-2-(2-ethoxyanilino)-5-(3-nitrobenzoyl)thiophene-3-carbonitrile |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C20 H16 N4 O4 S |
| Smiles: | CCOc1ccccc1Nc1c(C#N)c(c(C(c2cccc(c2)[N+]([O-])=O)=O)s1)N |
| Stereo: | ACHIRAL |
| logP: | 4.6169 |
| logD: | 4.6169 |
| logSw: | -4.6152 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.749 |
| InChI Key: | DQBDYHVSVOODIA-UHFFFAOYSA-N |