ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C163-0283 |
| Compound Name: | ethyl 2-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9563 |
| logD: | 0.1588 |
| logSw: | -3.4932 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.896 |
| InChI Key: | ZZDGFKGRTXRORL-GFCCVEGCSA-N |