ChemSpider 2D Image | 3-({2,5-Dimethyl-6-[4-(1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridin-2-yl)-1-piperidinyl]-4-pyrimidinyl}amino)-N-[(4-methoxyphenyl)sulfonyl]-L-alanine | C29H41N7O5S

3-({2,5-Dimethyl-6-[4-(1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridin-2-yl)-1-piperidinyl]-4-pyrimidinyl}amino)-N-[(4-methoxyphenyl)sulfonyl]-L-alanine

  • Molecular FormulaC29H41N7O5S
  • Average mass599.745 Da
  • Monoisotopic mass599.289001 Da
  • ChemSpider ID109484305

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

3-({2,5-Dimethyl-6-[4-(1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridin-2-yl)-1-piperidinyl]-4-pyrimidinyl}amino)-N-[(4-methoxyphenyl)sulfonyl]-L-alanin [German] [ACD/IUPAC Name]
3-({2,5-Dimethyl-6-[4-(1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridin-2-yl)-1-piperidinyl]-4-pyrimidinyl}amino)-N-[(4-methoxyphenyl)sulfonyl]-L-alanine [ACD/IUPAC Name]
3-({2,5-Diméthyl-6-[4-(1,2,3,4,4a,5,6,7-octahydro-1,8-naphtyridin-2-yl)-1-pipéridinyl]-4-pyrimidinyl}amino)-N-[(4-méthoxyphényl)sulfonyl]-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, 3-[[2,5-dimethyl-6-[4-(1,2,3,4,4a,5,6,7-octahydro-1,8-naphthyridin-2-yl)-1-piperidinyl]-4-pyrimidinyl]amino]-N-[(4-methoxyphenyl)sulfonyl]- [ACD/Index Name]
1320346-97-1 [RN]
GLPG0187

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

Density: 1.5±0.1 g/cm3
Boiling Point: 865.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±3.0 kJ/mol
Flash Point: 477.5±37.1 °C
Index of Refraction: 1.689
Molar Refractivity: 158.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.03
Polar Surface Area: 167 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 413.7±7.0 cm3

Click to predict properties on the Chemicalize site


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