ChemSpider 2D Image | (1-{N~2~-[(3-Methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]arginyl}-4-piperidinyl)acetic acid | C23H36N6O5S

(1-{N2-[(3-Methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]arginyl}-4-piperidinyl)acetic acid

  • Molecular FormulaC23H36N6O5S
  • Average mass508.634 Da
  • Monoisotopic mass508.246796 Da
  • ChemSpider ID23216856

More details:

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

(1-{N2-[(3-Methyl-1,2,3,4-tetrahydro-8-chinolinyl)sulfonyl]arginyl}-4-piperidinyl)essigsäure [German] [ACD/IUPAC Name]
(1-{N2-[(3-Methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]arginyl}-4-piperidinyl)acetic acid [ACD/IUPAC Name]
(1-{N5-(diaminomethylidene)-N2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]ornithyl}piperidin-4-yl)acetic acid
4-Piperidineacetic acid, 1-[5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]- [ACD/Index Name]
Acide (1-{N2-[(3-méthyl-1,2,3,4-tétrahydro-8-quinoléinyl)sulfonyl]arginyl}-4-pipéridinyl)acétique [French] [ACD/IUPAC Name]
{1-[5-Guanidino-2-(3-methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-pentanoyl]-piperidin-4-yl}-acetic acid
CHEMBL143412

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

Density: 1.5±0.1 g/cm3
Boiling Point: 813.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 445.8±37.1 °C
Index of Refraction: 1.673
Molar Refractivity: 130.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 346.6±7.0 cm3

Click to predict properties on the Chemicalize site


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