ChemSpider 2D Image | PHA-793887 | C19H31N5O2

PHA-793887

  • Molecular FormulaC19H31N5O2
  • Average mass361.482 Da
  • Monoisotopic mass361.247772 Da
  • ChemSpider ID24747380

More details:

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

718630-59-2 [RN]
Butanamide, 3-methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]- [ACD/Index Name]
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]-3-methylbutanamide
N-[6,6-DIMETHYL-5-(1-METHYLPIPERIDINE-4-CARBONYL)-1H,4H-PYRROLO[3,4-C]PYRAZOL-3-YL]-3-METHYLBUTANAMIDE
N-{6,6-Dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamid [German] [ACD/IUPAC Name]
N-{6,6-Dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-methylbutanamide [ACD/IUPAC Name]
N-{6,6-Diméthyl-5-[(1-méthyl-4-pipéridinyl)carbonyl]-1,4,5,6-tétrahydropyrrolo[3,4-c]pyrazol-3-yl}-3-méthylbutanamide [French] [ACD/IUPAC Name]
PHA-793887
[718630-59-2] [RN]
3-methyl-N-[1,4,5,6-tetrahydro-6,6-dimethyl-5-[(1-methyl-4-piperidinyl)carbonyl]pyrrolo[3,4-c]pyrazol-3-yl]-butanamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MKS45S912B [DBID]
UNII:MKS45S912B [DBID]
UNII-MKS45S912B [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: 596.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.8±3.0 kJ/mol
    Flash Point: 314.4±30.1 °C
    Index of Refraction: 1.573
    Molar Refractivity: 101.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.79
    ACD/LogD (pH 5.5): -0.78
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.82
    ACD/BCF (pH 7.4): 1.29
    ACD/KOC (pH 7.4): 19.26
    Polar Surface Area: 81 Å2
    Polarizability: 40.1±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 307.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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