ethyl 3-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
Chemical Structure Depiction of
ethyl 3-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
ethyl 3-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate
Compound characteristics
Compound ID: | G532-0110 |
Compound Name: | ethyl 3-{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamamido}benzoate |
Molecular Weight: | 344.41 |
Molecular Formula: | C18 H24 N4 O3 |
Smiles: | CCn1c(C)c(CNC(Nc2cccc(c2)C(=O)OCC)=O)c(C)n1 |
Stereo: | ACHIRAL |
logP: | 2.9552 |
logD: | 2.9552 |
logSw: | -3.2424 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.895 |
InChI Key: | DLNCVCGLUUOLKI-UHFFFAOYSA-N |