ChemSpider 2D Image | 4-(2-{[(3s,5s,7s)-Adamantan-1-ylmethyl]amino}ethyl)-6-amino-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | C23H31N7O

4-(2-{[(3s,5s,7s)-Adamantan-1-ylmethyl]amino}ethyl)-6-amino-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

  • Molecular FormulaC23H31N7O
  • Average mass421.539 Da
  • Monoisotopic mass421.259003 Da
  • ChemSpider ID35033470

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-(2-{[(3s,5s,7s)-Adamantan-1-ylmethyl]amino}ethyl)-6-amino-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]chinazolin-8-on [German] [ACD/IUPAC Name]
4-(2-{[(3s,5s,7s)-Adamantan-1-ylmethyl]amino}ethyl)-6-amino-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one [ACD/IUPAC Name]
4-(2-{[(3s,5s,7s)-Adamantan-1-ylméthyl]amino}éthyl)-6-amino-2-(méthylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one [French] [ACD/IUPAC Name]
8H-Imidazo[4,5-g]quinazolin-8-one, 6-amino-1,7-dihydro-2-(methylamino)-4-[2-[(tricyclo[3.3.1.13,7]dec-1-ylmethyl)amino]ethyl]- [ACD/Index Name]
0UX
6-Amino-2-(Methylamino)-4-(2-{[(3s,5s,7s)-Tricyclo[3.3.1.13,7]dec-1-Ylmethyl]amino}ethyl)-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.843
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.57
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.29
Polar Surface Area: 120 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 72.0±7.0 dyne/cm
Molar Volume: 258.3±7.0 cm3

Click to predict properties on the Chemicalize site


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