Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)-, ethyl ester
Basic information
- CAS
168127-33-1- Standard SMILES
CCOC(=O)COc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1- InChIKey
STENHTAPAWYURW-UHFFFAOYSA-N- Molecular formula
- C19H17ClN2O3S
- Average molar mass
- 388.9 g/mol
- Monoisotopic mass
- 388.0648413
Names & identifiers
- Preferred name
- Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)-, ethyl ester
- IUPAC
- ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetate
- English name
- ethyl 2-[4-[2-[(4-chlorophenyl)amino]-1,3-thiazol-4-yl]phenoxy]acetate
- Molecular formula
- C19H17ClN2O3S
- Molecular weight
- 388.87
Names & synonyms
168127-33-1Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)-, ethyl esterEthyl (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)acetateDTXSID20168494RefChem:316228DTXCID3090985ethyl 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetateEthyl {4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy}acetateethyl 2-[4-[2-[(4-chlorophenyl)amino]-1,3-thiazol-4-yl]phenoxy]acetateAcetic acid, 2-[4-[2-[(4-chlorophenyl)amino]-4-thiazolyl]phenoxy]-, ethyl ester
Database identifiers
- CAS
168127-33-1- PubChem CID
- 3074897
- DTXSID
DTXSID20168494
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 541.7 · 541.7±60.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- pka
- 3.27 · 3.27±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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