ChemSpider 2D Image | Tedalinab | C19H21F2N3O

Tedalinab

  • Molecular FormulaC19H21F2N3O
  • Average mass345.386 Da
  • Monoisotopic mass345.165283 Da
  • ChemSpider ID29340966
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,7S)-3-(2,4-Difluorophenyl)-N-(2-methyl-2-propanyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide [ACD/IUPAC Name]
(1R,7S)-3-(2,4-Difluorophényl)-N-(2-méthyl-2-propanyl)-3,4-diazatricyclo[5.2.1.02,6]déca-2(6),4-diène-5-carboxamide [French] [ACD/IUPAC Name]
(1R,7S)-3-(2,4-Difluorphenyl)-N-(2-methyl-2-propanyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-5-carboxamid [German] [ACD/IUPAC Name]
4,7-Methano-1H-indazole-3-carboxamide, 1-(2,4-difluorophenyl)-N-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-, (4S,7R)- [ACD/Index Name]
5R7X34Y6Q1
916591-01-0 [RN]
9257
tedalinab [Spanish] [INN]
tédalinab [French] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 448.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 225.2±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 90.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 597.75
ACD/KOC (pH 5.5): 3300.36
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 85.93
ACD/KOC (pH 7.4): 474.43
Polar Surface Area: 47 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 250.4±7.0 cm3

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