[1-(4-Chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea

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Basic information

CAS: 853352-64-4
Standard SMILES: NC(=O)NC(CC(=O)NNC(=O)c1cccs1)c1ccc(Cl)cc1
InChIKey: AYQKWFMHLMOYEU-UHFFFAOYSA-N
Molecular formula: C15H15ClN4O3S
Average molar mass: 366.8 g/mol
Monoisotopic mass: 366.0553392

Names & identifiers

Preferred name: [1-(4-Chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea
IUPAC: [1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea

Names & synonyms

[1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]ureaMLS002245456CHEMBL1906228DTXSID401330997HMS3084K16AKOS034076583853352-64-4SMR001309108SR-01000069670SR-01000069670-1Z29028568N-{1-(4-Chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl}urea

Database identifiers

CAS: 853352-64-4
PubChem CID: 4847733
DTXSID: DTXSID401330997
ChEMBL: CHEMBL1906228

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 142 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 472

Experimental & physicochemical properties

Solubility53.7 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

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Compound notes

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