N-benzyl-2-({[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-benzyl-2-({[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-benzyl-2-({[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8009-4662 |
| Compound Name: | N-benzyl-2-({[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 564.46 |
| Molecular Formula: | C27 H22 Br N3 O4 S |
| Smiles: | C1CCc2c(C1)c(C(NCc1ccccc1)=O)c(/N=C\c1ccc(c3ccc(cc3[Br])[N+]([O-])=O)o1)s2 |
| Stereo: | ACHIRAL |
| logP: | 7.1741 |
| logD: | 7.174 |
| logSw: | -6.0814 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.446 |
| InChI Key: | SHGMWVQKULUDQD-UHFFFAOYSA-N |