methyl 6-tert-butyl-2-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-tert-butyl-2-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8015-6778 |
| Compound Name: | methyl 6-tert-butyl-2-[2-(4-nitro-1H-pyrazol-1-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | CC(C(Nc1c(C(=O)OC)c2CCC(Cc2s1)C(C)(C)C)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8374 |
| logD: | 1.4157 |
| logSw: | -4.169 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.182 |
| InChI Key: | IDPBUNLJUYFJQM-UHFFFAOYSA-N |