ethyl 2-{5-nitro-2-[(2-phenylethyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{5-nitro-2-[(2-phenylethyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{5-nitro-2-[(2-phenylethyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-7797 |
| Compound Name: | ethyl 2-{5-nitro-2-[(2-phenylethyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc(ccc1NCCc1ccccc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5663 |
| logD: | 1.0437 |
| logSw: | -5.3954 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.558 |
| InChI Key: | ACXSUHJBMNXNDJ-UHFFFAOYSA-N |