ChemSpider 2D Image | (4-{4-[4-(1,3-Benzodioxol-5-ylsulfonyl)benzyl]-1-piperazinyl}-1-piperidinyl)(2,6-dimethylphenyl)methanone | C32H37N3O5S

(4-{4-[4-(1,3-Benzodioxol-5-ylsulfonyl)benzyl]-1-piperazinyl}-1-piperidinyl)(2,6-dimethylphenyl)methanone

  • Molecular FormulaC32H37N3O5S
  • Average mass575.718 Da
  • Monoisotopic mass575.245361 Da
  • ChemSpider ID407645

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4-{4-[4-(1,3-Benzodioxol-5-ylsulfonyl)benzyl]-1-piperazinyl}-1-piperidinyl)(2,6-dimethylphenyl)methanon [German] [ACD/IUPAC Name]
(4-{4-[4-(1,3-Benzodioxol-5-ylsulfonyl)benzyl]-1-piperazinyl}-1-piperidinyl)(2,6-dimethylphenyl)methanone [ACD/IUPAC Name]
(4-{4-[4-(1,3-Benzodioxol-5-ylsulfonyl)benzyl]-1-pipérazinyl}-1-pipéridinyl)(2,6-diméthylphényl)méthanone [French] [ACD/IUPAC Name]
(4-{4-[4-(1,3-benzodioxol-5-ylsulfonyl)benzyl]piperazin-1-yl}piperidin-1-yl)(2,6-dimethylphenyl)methanone
Methanone, [4-[4-[[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]methyl]-1-piperazinyl]-1-piperidinyl](2,6-dimethylphenyl)- [ACD/Index Name]
Piperazine, 1-[[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]methyl]-4-[1-(2,6-dimethylbenzoyl)-4-piperidinyl]-
(4-{4-[4-(Benzo[1,3]dioxole-5-sulfonyl)-benzyl]-piperazin-1-yl}-piperidin-1-yl)-(2,6-dimethyl-phenyl)-methanone
CHEMBL67172

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS033513 [DBID]
AIDS-033513 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 750.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.5±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 158.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 9.96
ACD/KOC (pH 5.5): 75.46
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 169.36
ACD/KOC (pH 7.4): 1283.26
Polar Surface Area: 88 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 447.2±3.0 cm3

Click to predict properties on the Chemicalize site


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