ChemSpider 2D Image | 1-(1-Acetyl-4-piperidinyl)-3-(3,5-difluorophenyl)-1-(3-isopropoxypropyl)thiourea | C20H29F2N3O2S

1-(1-Acetyl-4-piperidinyl)-3-(3,5-difluorophenyl)-1-(3-isopropoxypropyl)thiourea

  • Molecular FormulaC20H29F2N3O2S
  • Average mass413.525 Da
  • Monoisotopic mass413.194855 Da
  • ChemSpider ID22473816

More details:

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

1-(1-Acetyl-4-piperidinyl)-3-(3,5-difluorophenyl)-1-(3-isopropoxypropyl)thiourea [ACD/IUPAC Name]
1-(1-Acétyl-4-pipéridinyl)-3-(3,5-difluorophényl)-1-(3-isopropoxypropyl)thiourée [French] [ACD/IUPAC Name]
1-(1-Acetyl-4-piperidinyl)-3-(3,5-difluorphenyl)-1-(3-isopropoxypropyl)thioharnstoff [German] [ACD/IUPAC Name]
Thiourea, N-(1-acetyl-4-piperidinyl)-N'-(3,5-difluorophenyl)-N-[3-(1-methylethoxy)propyl]- [ACD/Index Name]
N-(1-acetylpiperidin-4-yl)-N'-(3,5-difluorophenyl)-N-(3-isopropoxypropyl)thiourea

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.4±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.87
ACD/KOC (pH 5.5): 1532.34
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 197.80
ACD/KOC (pH 7.4): 1531.79
Polar Surface Area: 77 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 339.2±5.0 cm3

Click to predict properties on the Chemicalize site


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