Molecular Identity
nefazodone
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
PubChem CID: 4449
Nefazodone is an aromatic ether, a member of triazoles, a N-alkylpiperazine, a N-arylpiperazine and a member of monochlorobenzenes. It has a role as an antidepressant, an analgesic, an alpha-adrenergic antagonist, a serotonergic antagonist and a serotonin uptake inhibitor.
2D Structure
Properties
C25H32ClN5O2
Molecular Formula
470.00
Molecular Weight
g/mol
469.2245
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
51.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
649
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
nefazodone83366-66-9NefazodonaNefazodonumNefazodonum [Latin]1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta2-1,2,4-triazolin-5-one59H4FCV1TFCHEBI:74941-(3-(4-(3-Chlorpheyl-1-piperazinylpropyl)-3-ethyl-4,5-dihydro-4-(2-phenoxyethyl)-1,2,4-triazol-5-onDTXSID2023357Nefazodonum (Latin)1-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5-ethyl-4-(2-phenoxyethyl)-3H-1,2,4-Triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-1-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
Data from PubChem (NCBI)
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