Basic information
- Standard SMILES
CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)O- InChIKey
OYJPTSMWFKGZJM-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2N2O4
- Average molar mass
- 383.2 g/mol
- Monoisotopic mass
- 382.04871235
Names & identifiers
- Preferred name
- 2-(4-(3,5-Dichlorophenylureido)phenoxy)-2-methylpropionic acid
- IUPAC
- 2-[4-[(3,5-dichlorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid
- English name
- L 35
- Molecular formula
- C17H16Cl2N2O4
- Molecular weight
- 383.23
Names & synonyms
2-(4-(3,5-Dichlorophenylureido)phenoxy)-2-methylpropionic acid2-[4-(3,5-dichlorophenylureido)phenoxy]-2-methylpropionic acidRefChem:1975853,5-trichlorophenylureido-phenoxy-methylpropionic acid121809-80-12-[4-[(3,5-dichlorophenyl)carbamoylamino]phenoxy]-2-methylpropanoic acid2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACIDL 35PS3UC84IQA2-(4-{[(3,5-dichlorophenyl)carbamoyl]amino}phenoxy)-2-methylpropanoic acidL-35L35
Show more names
Propanoic acid, 2-[4-[[[(3,5-dichlorophenyl)amino]carbonyl]amino]phenoxy]-2-methyl-2-(4-((((3,5-DICHLOROPHENYL)AMINO)CARBONYL)AMINO)PHENOXY)-2-METHYLPROPANOIC ACID2-(4-((3,5-DICHLOROPHENYL)CARBAMOYLAMINO)PHENOXY)-2-METHYLPROPANOIC ACIDOYJPTSMWFKGZJM-UHFFFAOYSA-NPROPANOIC ACID, 2-(4-((((3,5-DICHLOROPHENYL)AMINO)CARBONYL)AMINO)PHENOXY)-2-METHYL-UNII-PS3UC84IQACHEMBL76029orb1696729
Database identifiers
- CAS
121809-80-1- PubChem CID
- 195347
- DTXSID
DTXSID70153370- ChEMBL
CHEMBL76029- UNII
- PS3UC84IQA
- Nikkaji
- J374.338A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 471
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 182 · 182-183 °C(Solvent: Ethanol)
- Boiling point
- 455.9 · 455.9±45.0 °C(predicted)
- Density
- 1.462 · 1.462±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- storage temp.
- -196 °C · -196°C
- pka
- 3.3 · 3.30±0.10(predicted)
- biological source
- Porcine blood
- FDA UNII
- 3 UC84IQA · PS3UC84IQA
- UNSPSC Code
- 41106514 · 41106514
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
7 records
Linked notes
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