Propyl 4-[(4-fluorophenyl)carbamothioylamino]benzoate
Basic information
- CAS
6132-69-0- Standard SMILES
CCCOC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1- InChIKey
YUMBYDBKTAXZPI-UHFFFAOYSA-N- Molecular formula
- C17H17FN2O2S
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.09947712
Names & identifiers
- Preferred name
- Propyl 4-[(4-fluorophenyl)carbamothioylamino]benzoate
- IUPAC
- propyl 4-[(4-fluorophenyl)carbamothioylamino]benzoate
Names & synonyms
6132-69-0propyl 4-({[(4-fluorophenyl)amino]carbonothioyl}amino)benzoatepropyl 4-[(4-fluorophenyl)carbamothioylamino]benzoateZINC2133824propyl 4-{[(4-fluorophenyl)carbamothioyl]amino}benzoateZINC02133824CBMicro_046954Oprea1_802128DTXSID70365158MFCD01613228STK005365AKOS000487585
Show more names
BIM-0046958.P001ZINC000002133824CCCOC(=O)c1ccc(cc1)NC(=S)Nc1ccc(cc1)FPROPYL4((4FLUOROPHENYL)CARBAMOTHIOYLAMINO)BENZOATECCCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)FPROPYL4(((4FLUOROPHENYL)CARBAMOTHIOYL)AMINO)BENZOATEPROPYL4((((4FLUOROPHENYL)AMINO)CARBONOTHIOYL)AMINO)BENZOATE
Database identifiers
- CAS
6132-69-0- PubChem CID
- 1789034
- DTXSID
DTXSID70365158
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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