ChemSpider 2D Image | JNJ-26076713 | C29H38N4O3

JNJ-26076713

  • Molecular FormulaC29H38N4O3
  • Average mass490.637 Da
  • Monoisotopic mass490.294403 Da
  • ChemSpider ID32698796

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-[(3S)-1,2,3,4-Tetrahydro-3-chinolinyl]-4-{1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-4-piperidinyl}butansäure [German] [ACD/IUPAC Name]
(3S)-4-{1-[3-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)propanoyl]-4-piperidinyl}-3-[(3S)-1,2,3,4-tetrahydro-3-quinolinyl]butanoic acid [ACD/IUPAC Name]
3-Quinolinepropanoic acid, 1,2,3,4-tetrahydro-β-[[1-[1-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-4-piperidinyl]methyl]-, (βS,3S)- [ACD/Index Name]
669076-03-3 [RN]
Acide (3S)-4-{1-[3-(5,6,7,8-tétrahydro-1,8-naphtyridin-2-yl)propanoyl]-4-pipéridinyl}-3-[(3S)-1,2,3,4-tétrahydro-3-quinoléinyl]butanoïque [French] [ACD/IUPAC Name]
JNJ-26076713
(3S)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]-3-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]butanoic acid
3-Quinolinepropanoic acid, 1,2,3,4-tetrahydro-β-((1-(1-oxo-3-(1,5,6,7-tetrahydro-1,8-naphthyridin-2-yl)propyl)-4-piperidinyl)methyl)-, (βS,3S)-

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

9DLK169HJ7 [DBID]
UNII:9DLK169HJ7 [DBID]
UNII-9DLK169HJ7 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 763.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.3±32.9 °C
Index of Refraction: 1.584
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 15.00
ACD/KOC (pH 5.5): 59.15
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 5.53
ACD/KOC (pH 7.4): 21.79
Polar Surface Area: 95 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 413.6±3.0 cm3

Click to predict properties on the Chemicalize site


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