ethyl 2-(4-butyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-butyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-(4-butyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
Compound ID: | D475-1991 |
Compound Name: | ethyl 2-(4-butyl-5-hydroxy-3-methyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxylate |
Molecular Weight: | 323.41 |
Molecular Formula: | C15 H21 N3 O3 S |
Smiles: | CCCCc1c(C)nn(c1O)c1nc(C)c(C(=O)OCC)s1 |
Stereo: | ACHIRAL |
logP: | 3.5843 |
logD: | 1.9685 |
logSw: | -3.5662 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.239 |
InChI Key: | KNKOZFUOCZSNDL-UHFFFAOYSA-N |