2-{[(3-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{[(3-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | C202-3155 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C16 H17 N3 O3 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NCc1cccc(c1)[N+]([O-])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.1188 |
| logD: | 2.1188 |
| logSw: | -2.8625 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.628 |
| InChI Key: | KMVBQFFUWSOTCH-UHFFFAOYSA-N |