ethyl 5-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate
ethyl 5-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y501-3729 |
| Compound Name: | ethyl 5-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C16 H16 N4 O3 S |
| Smiles: | CCOC(c1cc(C(Nc2c(C#N)c3CCCc3s2)=O)n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0832 |
| logD: | -1.1611 |
| logSw: | -2.792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.737 |
| InChI Key: | DQFQBIATIYZVSC-UHFFFAOYSA-N |