ChemSpider 2D Image | 2-[(6-{[3'-(Aminomethyl)-3-biphenylyl]oxy}-4-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-3,5-difluoro-2-pyridinyl)oxy]-4-(dimethylamino)benzoic acid | C33H35F2N5O4

2-[(6-{[3'-(Aminomethyl)-3-biphenylyl]oxy}-4-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-3,5-difluoro-2-pyridinyl)oxy]-4-(dimethylamino)benzoic acid

  • Molecular FormulaC33H35F2N5O4
  • Average mass603.659 Da
  • Monoisotopic mass603.265686 Da
  • ChemSpider ID25056660

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(6-{[3'-(Aminomethyl)-3-biphenylyl]oxy}-4-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-3,5-difluor-2-pyridinyl)oxy]-4-(dimethylamino)benzoesäure [German] [ACD/IUPAC Name]
2-[(6-{[3'-(Aminomethyl)-3-biphenylyl]oxy}-4-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-3,5-difluoro-2-pyridinyl)oxy]-4-(dimethylamino)benzoic acid [ACD/IUPAC Name]
2-[(6-{[3'-(Aminomethyl)biphenyl-3-Yl]oxy}-4-[(3r)-3-(Dimethylamino)pyrrolidin-1-Yl]-3,5-Difluoropyridin-2-Yl)oxy]-4-(Dimethylamino)benzoic Acid
Acide 2-[(6-{[3'-(aminométhyl)-3-biphénylyl]oxy}-4-[(3R)-3-(diméthylamino)-1-pyrrolidinyl]-3,5-difluoro-2-pyridinyl)oxy]-4-(diméthylamino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[6-[[3'-(aminomethyl)[1,1'-biphenyl]-3-yl]oxy]-4-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]-3,5-difluoro-2-pyridinyl]oxy]-4-(dimethylamino)- [ACD/Index Name]

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

438 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 703.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 379.0±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 163.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.92
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.17
Polar Surface Area: 104 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 439.9±5.0 cm3

Click to predict properties on the Chemicalize site


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