2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | Y500-1152 |
| Compound Name: | 2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C23 H25 N5 O4 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(Nc2c(C(NC)=O)c3CCCCc3s2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8361 |
| logD: | 0.6311 |
| logSw: | -3.5653 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.941 |
| InChI Key: | YIAGIGIUFRPFGS-UHFFFAOYSA-N |