ethyl 2-{[(2-chloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-chloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(2-chloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8008-6306 |
| Compound Name: | ethyl 2-{[(2-chloro-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C18 H17 Cl N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C/c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.435 |
| logD: | 5.435 |
| logSw: | -6.2118 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.216 |
| InChI Key: | OREGEPJHSDJMIN-UHFFFAOYSA-N |