ChemSpider 2D Image | N-[(1s,2r)-3-{[(5s)-5-(3-Tert-Butylphenyl)-4,5,6,7-Tetrahydro-1h-Indazol-5-Yl]amino}-1-(3,5-Difluorobenzyl)-2-Hydroxypropyl]acetamide | C29H36F2N4O2

N-[(1s,2r)-3-{[(5s)-5-(3-Tert-Butylphenyl)-4,5,6,7-Tetrahydro-1h-Indazol-5-Yl]amino}-1-(3,5-Difluorobenzyl)-2-Hydroxypropyl]acetamide

  • Molecular FormulaC29H36F2N4O2
  • Average mass510.618 Da
  • Monoisotopic mass510.280640 Da
  • ChemSpider ID25057140

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acetamide, N-[(1S,2R)-1-[(3,5-difluorophenyl)methyl]-3-[[(5S)-5-[3-(1,1-dimethylethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]-2-hydroxypropyl]- [ACD/Index Name]
N-[(1s,2r)-3-{[(5s)-5-(3-Tert-Butylphenyl)-4,5,6,7-Tetrahydro-1h-Indazol-5-Yl]amino}-1-(3,5-Difluorobenzyl)-2-Hydroxypropyl]acetamide
N-[(2S,3R)-1-(3,5-Difluorophenyl)-3-hydroxy-4-({(5S)-5-[3-(2-methyl-2-propanyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-5-yl}amino)-2-butanyl]acetamide [ACD/IUPAC Name]
N-[(2S,3R)-1-(3,5-Difluorophényl)-3-hydroxy-4-({(5S)-5-[3-(2-méthyl-2-propanyl)phényl]-4,5,6,7-tétrahydro-1H-indazol-5-yl}amino)-2-butanyl]acétamide [French] [ACD/IUPAC Name]
N-[(2S,3R)-1-(3,5-Difluorphenyl)-3-hydroxy-4-({(5S)-5-[3-(2-methyl-2-propanyl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-5-yl}amino)-2-butanyl]acetamid [German] [ACD/IUPAC Name]
2LI

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

Density: 1.2±0.1 g/cm3
Boiling Point: 740.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 401.8±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 29.79
ACD/KOC (pH 5.5): 94.64
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1436.40
ACD/KOC (pH 7.4): 4563.51
Polar Surface Area: 90 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 410.1±5.0 cm3

Click to predict properties on the Chemicalize site


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