methyl 3-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
Compound ID: | E751-3214 |
Compound Name: | methyl 3-{[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]amino}thiophene-2-carboxylate |
Molecular Weight: | 406.46 |
Molecular Formula: | C21 H18 N4 O3 S |
Smiles: | Cc1ccc(cc1)n1c(c(cn1)C(Nc1ccsc1C(=O)OC)=O)n1cccc1 |
Stereo: | ACHIRAL |
logP: | 4.6502 |
logD: | 4.6374 |
logSw: | -4.3587 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.681 |
InChI Key: | HCRWEUZKKMKONZ-UHFFFAOYSA-N |