propyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3209-0151 |
| Compound Name: | propyl 2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C18 H22 N4 O5 S |
| Smiles: | CCCOC(c1c2CCCCc2sc1NC(Cn1c(C)cc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0443 |
| logD: | 0.6978 |
| logSw: | -3.2446 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.924 |
| InChI Key: | CRHUKCSAOMSLNL-UHFFFAOYSA-N |