ethyl 2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8018-6195 |
| Compound Name: | ethyl 2-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 395.91 |
| Molecular Formula: | C18 H22 Cl N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(Cn1c(C)c(c(C)n1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4876 |
| logD: | 1.1411 |
| logSw: | -4.7717 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.138 |
| InChI Key: | IEUXLLVPOCXLIO-UHFFFAOYSA-N |