N-benzyl-2-{[(4,5-dimethoxy-2-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-benzyl-2-{[(4,5-dimethoxy-2-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-benzyl-2-{[(4,5-dimethoxy-2-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8009-4660 |
| Compound Name: | N-benzyl-2-{[(4,5-dimethoxy-2-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C25 H25 N3 O5 S |
| Smiles: | COc1cc(\C=N/c2c(C(NCc3ccccc3)=O)c3CCCCc3s2)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.62 |
| logD: | 4.6199 |
| logSw: | -4.6091 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.836 |
| InChI Key: | WENPLLGDZYIPFV-UHFFFAOYSA-N |