Found 1 result

Search term: LWZQVTFKRIYOLA-VWLOTQADSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(4-{[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]amino}butyl)phenol | C28H29Cl2N5O

4-(4-{[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]amino}butyl)phenol

  • Molecular FormulaC28H29Cl2N5O
  • Average mass522.469 Da
  • Monoisotopic mass521.174927 Da
  • ChemSpider ID30828972

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(4-{[(1R)-2-{[5-Chlor-2-(5-chlor-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]amino}butyl)phenol [German] [ACD/IUPAC Name]
4-(4-{[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino}-1-phenylethyl]amino}butyl)phenol [ACD/IUPAC Name]
4-(4-{[(1R)-2-{[5-Chloro-2-(5-chloro-2-pyridinyl)-6-méthyl-4-pyrimidinyl]amino}-1-phényléthyl]amino}butyl)phénol [French] [ACD/IUPAC Name]
Phenol, 4-[4-[[(1R)-2-[[5-chloro-2-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidinyl]amino]-1-phenylethyl]amino]butyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 346.9±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 34.48
ACD/KOC (pH 5.5): 72.31
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 1409.63
ACD/KOC (pH 7.4): 2955.93
Polar Surface Area: 83 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 406.0±3.0 cm3

Click to predict properties on the Chemicalize site


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