1-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-{3-[(4-fluorophenyl)methoxy]thiophen-2-yl}urea
Basic information
- CAS
303147-93-5- Standard SMILES
O=C(NNc1ncc(C(F)(F)F)cc1Cl)Nc1sccc1OCc1ccc(F)cc1- InChIKey
KOIRZJZTHOXTDH-UHFFFAOYSA-N- Molecular formula
- C18H13ClF4N4O2S
- Average molar mass
- 460.8 g/mol
Names & identifiers
- Preferred name
- 1-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-{3-[(4-fluorophenyl)methoxy]thiophen-2-yl}urea
- IUPAC
- 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-[3-[(4-fluorophenyl)methoxy]thiophen-2-yl]urea
- English name
- 2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-[(4-fluorobenzyl)oxy]-2-thienyl)-1-hydrazinecarboxamide
- Molecular formula
- C18H13ClF4N4O2S
- Molecular weight
- 460.83
Names & synonyms
303147-93-51-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-{3-[(4-fluorophenyl)methoxy]thiophen-2-yl}urea1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-[3-[(4-fluorophenyl)methoxy]thiophen-2-yl]ureaAKOS0050771892-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-{3-[(4-fluorobenzyl)oxy]-2-thienyl}-1-hydrazinecarboxamide11F-0222-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(3-((4-fluorobenzyl)oxy)thiophen-2-yl)hydrazine-1-carboxamide2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-[(4-fluorobenzyl)oxy]-2-thienyl)-1-hydrazinecarboxamideHydrazinecarboxamide, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[(4-fluorophenyl)methoxy]-2-thienyl]-
Database identifiers
- CAS
303147-93-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- Density
- 1.558 · 1.558±0.06 g/cm3(Predicted)
- pka
- 9.86 · 9.86±0.43(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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