propyl 2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5232 |
| Compound Name: | propyl 2-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 454.38 |
| Molecular Formula: | C19 H24 Br N3 O3 S |
| Smiles: | CCCOC(c1c2CCCCc2sc1NC(Cn1c(C)c(c(C)n1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0487 |
| logD: | 1.7021 |
| logSw: | -4.0988 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.432 |
| InChI Key: | JLXCWHDFTZYPJM-UHFFFAOYSA-N |