ChemSpider 2D Image | 1-({6-[(2,3-Dihydroxypropyl)amino]-4,8-bis[(3,4-dimethoxybenzyl)amino]pyrimido[5,4-d]pyrimidin-2-yl}amino)-2-propanyl phenylcarbamate | C37H45N9O8

1-({6-[(2,3-Dihydroxypropyl)amino]-4,8-bis[(3,4-dimethoxybenzyl)amino]pyrimido[5,4-d]pyrimidin-2-yl}amino)-2-propanyl phenylcarbamate

  • Molecular FormulaC37H45N9O8
  • Average mass743.809 Da
  • Monoisotopic mass743.339111 Da
  • ChemSpider ID26343759

More details:

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

1-({6-[(2,3-Dihydroxypropyl)amino]-4,8-bis[(3,4-dimethoxybenzyl)amino]pyrimido[5,4-d]pyrimidin-2-yl}amino)-2-propanyl phenylcarbamate [ACD/IUPAC Name]
1-({6-[(2,3-Dihydroxypropyl)amino]-4,8-bis[(3,4-dimethoxybenzyl)amino]pyrimido[5,4-d]pyrimidin-2-yl}amino)-2-propanyl-phenylcarbamat [German] [ACD/IUPAC Name]
1,2-Propanediol, 3-[[4,8-bis[[(3,4-dimethoxyphenyl)methyl]amino]-6-[[2-[[(phenylamino)carbonyl]oxy]propyl]amino]pyrimido[5,4-d]pyrimidin-2-yl]amino]- [ACD/Index Name]
Phénylcarbamate de 1-({6-[(2,3-dihydroxypropyl)amino]-4,8-bis[(3,4-diméthoxybenzyl)amino]pyrimido[5,4-d]pyrimidin-2-yl}amino)-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 207.7±0.3 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 131.62
ACD/KOC (pH 5.5): 940.24
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 259.05
ACD/KOC (pH 7.4): 1850.48
Polar Surface Area: 215 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 537.3±3.0 cm3

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