methyl 3-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E751-3724 |
| Compound Name: | methyl 3-{[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | Cc1ccc(cc1)n1c(c(C(Nc2ccsc2C(=O)OC)=O)c(C)n1)n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3095 |
| logD: | 4.267 |
| logSw: | -4.4669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.034 |
| InChI Key: | BUOQDXRYVYKFSS-UHFFFAOYSA-N |