methyl 3-chloro-6-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-chloro-6-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-1-benzothiophene-2-carboxylate
methyl 3-chloro-6-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y502-4489 |
| Compound Name: | methyl 3-chloro-6-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 498.94 |
| Molecular Formula: | C23 H19 Cl N4 O5 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(Nc2ccc3c(c(C(=O)OC)sc3c2)[Cl])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5898 |
| logD: | 4.5791 |
| logSw: | -4.9538 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.312 |
| InChI Key: | ZYRVOGGGAUAAGW-UHFFFAOYSA-N |