ethyl 2-{5-nitro-2-[(3-phenylpropyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{5-nitro-2-[(3-phenylpropyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{5-nitro-2-[(3-phenylpropyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4263-1391 |
| Compound Name: | ethyl 2-{5-nitro-2-[(3-phenylpropyl)amino]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C27 H29 N3 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc(ccc1NCCCc1ccccc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5428 |
| logD: | 2.0202 |
| logSw: | -5.6909 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.558 |
| InChI Key: | LIBAGGTUCCCXIR-UHFFFAOYSA-N |