1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-

HCID 200566

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Basic information

CAS: 2262-67-1
Standard SMILES: O=C1NCN(c2ccccc2)C12CCN(CCCSc1ccc(F)cc1)CC2
InChIKey: FRWHAGPZSVSWSM-UHFFFAOYSA-N
Molecular formula: C22H26FN3OS
Average molar mass: 399.5 g/mol
Monoisotopic mass: 399.1780618

Names & identifiers

Preferred name: 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-
IUPAC: 8-[3-(4-fluorophenyl)sulfanylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Names & synonyms

NSC6657131,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(p-fluorophenylthio)propyl)-1-phenyl-2262-67-1BRN 06316804-Oxo-8-(3-(4-fluorophenylthio)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decaneCHEMBL2000997DTXSID90177139NSC-6657138-[3-(4-fluorophenyl)sulfanylpropyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one8-{3-[(4-fluorophenyl)sulfanyl]propyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneNCI60_0226998-(3-((4-Fluorophenyl)thio)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Database identifiers

CAS: 2262-67-1
PubChem CID: 200566
DTXSID: DTXSID90177139
ChEMBL: CHEMBL2000997
Nikkaji: J85.133G

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 60.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 512

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