ethyl 6-tert-butyl-2-[2-(3,5-dimethyl-4-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-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-8045 |
| Compound Name: | ethyl 6-tert-butyl-2-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C22 H30 N4 O5 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(Cn1c(C)c(c(C)n1)[N+]([O-])=O)=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3489 |
| logD: | 2.0024 |
| logSw: | -4.3365 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.918 |
| InChI Key: | DLUMNPNBYPFXRF-CQSZACIVSA-N |