ethyl 2-{[(4-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(4-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8755-0235 |
| Compound Name: | ethyl 2-{[(4-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 360.43 |
| Molecular Formula: | C18 H20 N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2856 |
| logD: | 4.2856 |
| logSw: | -4.3877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.323 |
| InChI Key: | CSNLFAHYFMULNU-UHFFFAOYSA-N |