propyl 2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5665 |
| Compound Name: | propyl 2-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CCCOC(c1c2CCCCc2sc1NC(c1ccc(Cn2c(C)c(c(C)n2)[N+]([O-])=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5395 |
| logD: | 0.8043 |
| logSw: | -4.5193 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.154 |
| InChI Key: | MNXHGPFSDBNNGT-UHFFFAOYSA-N |