ChemSpider 2D Image | LY-2452473 | C22H22N4O2

LY-2452473

  • Molecular FormulaC22H22N4O2
  • Average mass374.436 Da
  • Monoisotopic mass374.174286 Da
  • ChemSpider ID26499021

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-Isopropyl (7-cyano-4-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
[(2S)-7-Cyano-4-(2-pyridinylméthyl)-1,2,3,4-tétrahydrocyclopenta[b]indol-2-yl]carbamate d'isopropyle [French] [ACD/IUPAC Name]
1029692-15-6 [RN]
1-Methylethyl N-[(2S)-7-cyano-1,2,3,4-tetrahydro-4-(2-pyridinylmethyl)cyclopent[b]indol-2-yl]carbamate
Carbamic acid, N-[(2S)-7-cyano-1,2,3,4-tetrahydro-4-(2-pyridinylmethyl)cyclopent[b]indol-2-yl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl (2S)-7-cyano-4-(2-pyridinylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-ylcarbamate
isopropyl (S)-(7-cyano-4-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
Isopropyl [(2S)-7-cyano-4-(2-pyridinylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]carbamate [ACD/IUPAC Name]
isopropyl N-[(2S)-7-cyano-4-(pyridin-2-ylmethyl)-1H,2H,3H-cyclopenta[b]indol-2-yl]carbamate
Isopropyl-[(2S)-7-cyan-4-(2-pyridinylmethyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl]carbamat [German] [ACD/IUPAC Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 617.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 91.6±3.0 kJ/mol
    Flash Point: 327.3±31.5 °C
    Index of Refraction: 1.660
    Molar Refractivity: 107.6±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.05
    ACD/LogD (pH 5.5): 3.46
    ACD/BCF (pH 5.5): 229.01
    ACD/KOC (pH 5.5): 1525.28
    ACD/LogD (pH 7.4): 3.63
    ACD/BCF (pH 7.4): 334.33
    ACD/KOC (pH 7.4): 2226.79
    Polar Surface Area: 80 Å2
    Polarizability: 42.7±0.5 10-24cm3
    Surface Tension: 50.0±7.0 dyne/cm
    Molar Volume: 291.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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