ChemSpider 2D Image | evocalcet | C24H26N2O2

evocalcet

  • Molecular FormulaC24H26N2O2
  • Average mass374.475 Da
  • Monoisotopic mass374.199432 Da
  • ChemSpider ID44208828

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{4-[(3S)-3-{[(1R)-1-(1-Naphthyl)ethyl]amino}-1-pyrrolidinyl]phenyl}acetic acid [ACD/IUPAC Name]
{4-[(3S)-3-{[(1R)-1-(1-Naphthyl)ethyl]amino}-1-pyrrolidinyl]phenyl}essigsäure [German] [ACD/IUPAC Name]
2-{4-[(3S)-3-{[(1R)-1-(naphthalen-1-yl)ethyl]amino}pyrrolidin-1-yl]phenyl}acetic acid
4-[(3S)-3-[[(1R)-1-(1-Naphthalenyl)ethyl]amino]-1-pyrrolidinyl]benzeneacetic acid
870964-67-3 [RN]
Acide {4-[(3S)-3-{[(1R)-1-(1-naphtyl)éthyl]amino}-1-pyrrolidinyl]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[(3S)-3-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-1-pyrrolidinyl]- [ACD/Index Name]
evocalcet [INN]
evocalcet [Spanish] [INN]
évocalcet [French] [INN]
More...

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

10098 [DBID]
E58MLH082P [DBID]
KHK-7580 [DBID]
MT-4580 [DBID]
UNII:E58MLH082P [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: 594.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.2±3.0 kJ/mol
    Flash Point: 313.3±30.1 °C
    Index of Refraction: 1.666
    Molar Refractivity: 113.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.00
    ACD/LogD (pH 5.5): 1.42
    ACD/BCF (pH 5.5): 1.76
    ACD/KOC (pH 5.5): 9.97
    ACD/LogD (pH 7.4): 1.43
    ACD/BCF (pH 7.4): 1.80
    ACD/KOC (pH 7.4): 10.21
    Polar Surface Area: 53 Å2
    Polarizability: 44.9±0.5 10-24cm3
    Surface Tension: 59.2±5.0 dyne/cm
    Molar Volume: 304.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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