2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y502-1227 |
| Compound Name: | 2-{2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C21 H21 N5 O4 S |
| Smiles: | Cc1cc(nn1Cc1ccccc1C(Nc1c(C(N)=O)c2CCCCc2s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8898 |
| logD: | -0.1423 |
| logSw: | -3.0471 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.877 |
| InChI Key: | FGXKKWZZOQBPIU-UHFFFAOYSA-N |