ChemSpider 2D Image | WAY-361789 | C22H31N5O3

WAY-361789

  • Molecular FormulaC22H31N5O3
  • Average mass413.513 Da
  • Monoisotopic mass413.242676 Da
  • ChemSpider ID28523585

More details:

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

1040718-40-8 [RN]
1H-1,4-Diazepine-1-pentanamide, 4-acetylhexahydro-N-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
5-(4-Acetyl-1,4-diazepan-1-yl)-N-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pentanamide [ACD/IUPAC Name]
WAY-361789
1H-1,4-Diazepine-1-pentanamide, 4-acetylhexahydro-N-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)-
5-(4-Acetyl-1,4-diazepan-1-yl)-N-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pentanamid [German] [ACD/IUPAC Name]
5-(4-Acétyl-1,4-diazépan-1-yl)-N-[3-(4-méthoxyphényl)-1H-pyrazol-5-yl]pentanamide [French] [ACD/IUPAC Name]
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pentanamide

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

T264JJ4F2S [DBID]
UNII:T264JJ4F2S [DBID]
UNII-T264JJ4F2S [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 715.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.7±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 2.68
ACD/KOC (pH 7.4): 41.42
Polar Surface Area: 91 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 346.5±3.0 cm3

Click to predict properties on the Chemicalize site


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