ethyl 6-tert-butyl-2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-tert-butyl-2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0419 |
| Compound Name: | ethyl 6-tert-butyl-2-[2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C21 H27 Cl N4 O5 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(Cn1c(C)c(c(n1)[N+]([O-])=O)[Cl])=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8072 |
| logD: | 2.4607 |
| logSw: | -5.1538 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.876 |
| InChI Key: | YZLNDKDVMKQKLR-GFCCVEGCSA-N |