Nefazodone

C₂₅H₃₂ClN₅O₂CAS 83366-66-9470.01 g/mol

Open in Covalent MOL file

Aryl halide Ether Tertiary amine

Properties

Molecular formula: C₂₅H₃₂ClN₅O₂
Molar mass: 470.01 g/mol
Exact mass: 469.2245 Da
Melting point: 83.5 °C
logP: 3.55Crippen estimate
Polar surface area: 55.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 10

Identifiers

CAS number

83366-66-9

SMILES

CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1

InChIKey

VRBKIVRKKCLPHA-UHFFFAOYSA-N

InChI

InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

3H-1,2,4-Triazol-3-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-
2-[3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one

Work with Nefazodone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nefazodone hydrochloride82752-99-695 % similar Trazodone19794-93-555 % similar Trazodone hydrochloride25332-39-253 % similar 5-Ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one95885-13-540 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine39577-43-039 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1)52605-52-437 % similar 4-(3-Chlorophenyl)-α-(diphenylmethyl)-1-piperazineethanol dihydrochloride193611-72-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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