N-benzyl-2-{[(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-benzyl-2-{[(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-benzyl-2-{[(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 8009-5414 |
| Compound Name: | N-benzyl-2-{[(3-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | C1CCc2c(C1)c(C(NCc1ccccc1)=O)c(/N=C\c1cccc(c1)[N+]([O-])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.9752 |
| logD: | 4.975 |
| logSw: | -5.026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.876 |
| InChI Key: | QCJZIGMFCBTQLH-UHFFFAOYSA-N |