Ethyl 3-(2,6-Dichlorophenyl)-5-isopropylisoxazole-4-carboxylate - CAS 774605-35-5
Catalog: |
BB035949 |
Product Name: |
Ethyl 3-(2,6-Dichlorophenyl)-5-isopropylisoxazole-4-carboxylate |
CAS: |
774605-35-5 |
Synonyms: |
3-(2,6-dichlorophenyl)-5-propan-2-yl-4-isoxazolecarboxylic acid ethyl ester; ethyl 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate |
IUPAC Name: | ethyl 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate |
Description: | Ethyl 3-(2,6-Dichlorophenyl)-5-isopropylisoxazole-4-carboxylate (CAS# 774605-35-5 ) is a useful research chemical. |
Molecular Weight: | 328.19 |
Molecular Formula: | C15H15Cl2NO3 |
Canonical SMILES: | CCOC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)Cl)C(C)C |
InChI: | InChI=1S/C15H15Cl2NO3/c1-4-20-15(19)12-13(18-21-14(12)8(2)3)11-9(16)6-5-7-10(11)17/h5-8H,4H2,1-3H3 |
InChI Key: | QQTCIYTVXYIVGM-UHFFFAOYSA-N |
LogP: | 4.94850 |
Publication Number | Title | Priority Date |
JP-2019535811-A | Heterocyclic FXR modulator | 20161022 |
KR-20190067890-A | Heterocyclic FXR modulator | 20161022 |
US-2019248752-A1 | Heterocyclic fxr modulators | 20161022 |
WO-2018075207-A1 | Heterocyclic fxr modulators | 20161022 |
US-10899723-B2 | Heterocyclic containing cyclopropyl FXR modulators | 20161022 |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 327.0428987 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 327.0428987 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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