methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6228-2386 |
| Compound Name: | methyl 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C22 H22 Cl N3 O3 S |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(Nc2c(C(=O)OC)c3CCCc3s2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9455 |
| logD: | -0.248 |
| logSw: | -4.939 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.866 |
| InChI Key: | XKKCZTGQSHDFKE-UHFFFAOYSA-N |