ChemSpider 2D Image | AEW-541 | C27H29N5O

AEW-541

  • Molecular FormulaC27H29N5O
  • Average mass439.552 Da
  • Monoisotopic mass439.237213 Da
  • ChemSpider ID30783509

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

475488-34-7 [RN]
7-[trans-3-(1-Azetidinylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
7-[trans-3-(1-Azetidinylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
7-[trans-3-(1-Azétidinylméthyl)cyclobutyl]-5-[3-(benzyloxy)phényl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[trans-3-(1-azetidinylmethyl)cyclobutyl]-5-[3-(phenylmethoxy)phenyl]- [ACD/Index Name]
AEW-541
NVP-AEW541
[475488-34-7] [RN]
475488-34-7 (free base)
475489-16-8 [RN]
More...

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

97QB5037VR [DBID]
UNII:97QB5037VR [DBID]
UNII-97QB5037VR [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.4±31.5 °C
Index of Refraction: 1.710
Molar Refractivity: 129.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.16
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 16.31
ACD/KOC (pH 7.4): 62.63
Polar Surface Area: 69 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 330.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement