ChemSpider 2D Image | 7-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one | C21H23N7O

7-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC21H23N7O
  • Average mass389.454 Da
  • Monoisotopic mass389.196411 Da
  • ChemSpider ID34252671

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

7-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
7-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
7-{[(1R,2S)-2-Aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Pyrido[4,3-d]pyrimidin-4(3H)-one, 7-[[(1R,2S)-2-aminocyclohexyl]amino]-5-(1H-indol-7-ylamino)- [ACD/Index Name]
2X6

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

Density: 1.6±0.1 g/cm3
Boiling Point: 728.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.5±32.9 °C
Index of Refraction: 1.807
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.29
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.01
Polar Surface Area: 120 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 250.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement