ChemSpider 2D Image | 5-{Acetyl[3-(3,5-dimethoxyphenyl)-2-{[(2-methyl-2-propanyl)carbamoyl]amino}-1,6-naphthyridin-7-yl]amino}pentyl methanesulfonate | C29H39N5O7S

5-{Acetyl[3-(3,5-dimethoxyphenyl)-2-{[(2-methyl-2-propanyl)carbamoyl]amino}-1,6-naphthyridin-7-yl]amino}pentyl methanesulfonate

  • Molecular FormulaC29H39N5O7S
  • Average mass601.714 Da
  • Monoisotopic mass601.257019 Da
  • ChemSpider ID9505833

More details:

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

5-{Acetyl[3-(3,5-dimethoxyphenyl)-2-{[(2-methyl-2-propanyl)carbamoyl]amino}-1,6-naphthyridin-7-yl]amino}pentyl methanesulfonate [ACD/IUPAC Name]
5-{Acetyl[3-(3,5-dimethoxyphenyl)-2-{[(2-methyl-2-propanyl)carbamoyl]amino}-1,6-naphthyridin-7-yl]amino}pentyl-methansulfonat [German] [ACD/IUPAC Name]
Acetamide, N-[3-(3,5-dimethoxyphenyl)-2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-1,6-naphthyridin-7-yl]-N-[5-[(methylsulfonyl)oxy]pentyl]- [ACD/Index Name]
Méthanesulfonate de 5-{acétyl[3-(3,5-diméthoxyphényl)-2-{[(2-méthyl-2-propanyl)carbamoyl]amino}-1,6-naphtyridin-7-yl]amino}pentyle [French] [ACD/IUPAC 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: 767.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.7±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.14
ACD/KOC (pH 5.5): 349.08
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.20
ACD/KOC (pH 7.4): 349.94
Polar Surface Area: 157 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 476.3±3.0 cm3

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