C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F
CAS: 749-02-0
Nom: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F

Molecular Processing

Molecular formula
C23H26FN3O2
Molecular weight
395.48
Exact mass
395.2009
XLogP
3.22
TPSA
52.65
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
110.3

Supplementary Information

InChIKey: DKGZKTPJOSAWFA-UHFFFAOYSA-N
Synonymes
spiperone749-02-0SpiropitanSpiroperidolEspiperonaSpiperonum8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneR 5147DTXSID50452058-(3-(p-Fluorobenzoyl)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one8-(3-p-Fluorobenzoyl-1-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decaneR-5147NSC-1709834X6E73CJ0Q1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-CHEBI:9233DTXCID30252058-[3-(p-Fluorobenzoyl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneSpiroperone1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-8-(4-(4-Fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-oneRefChem:888546212-024-0[3H]spiperone[3H]-spiperoneE 525NSC 170983MLS000028615Spiroperidol;R-5147
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