ChemSpider 2D Image | N-{5-Carbamimidamido-1-[4-(2-hydroxyethyl)-1-piperidinyl]-1-oxo-2-pentanyl}-3-methyl-1,2,3,4-tetrahydro-8-quinolinesulfonamide | C23H38N6O4S

N-{5-Carbamimidamido-1-[4-(2-hydroxyethyl)-1-piperidinyl]-1-oxo-2-pentanyl}-3-methyl-1,2,3,4-tetrahydro-8-quinolinesulfonamide

  • Molecular FormulaC23H38N6O4S
  • Average mass494.651 Da
  • Monoisotopic mass494.267517 Da
  • ChemSpider ID23217277

More details:

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

8-Quinolinesulfonamide, N-[4-[(aminoiminomethyl)amino]-1-[[4-(2-hydroxyethyl)-1-piperidinyl]carbonyl]butyl]-1,2,3,4-tetrahydro-3-methyl- [ACD/Index Name]
N-{5-[(diaminomethylidene)amino]-1-[4-(2-hydroxyethyl)piperidin-1-yl]-1-oxopentan-2-yl}-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide
N-{5-Carbamimidamido-1-[4-(2-hydroxyethyl)-1-piperidinyl]-1-oxo-2-pentanyl}-3-methyl-1,2,3,4-tetrahydro-8-chinolinsulfonamid [German] [ACD/IUPAC Name]
N-{5-Carbamimidamido-1-[4-(2-hydroxyéthyl)-1-pipéridinyl]-1-oxo-2-pentanyl}-3-méthyl-1,2,3,4-tétrahydro-8-quinoléinesulfonamide [French] [ACD/IUPAC Name]
N-{5-Carbamimidamido-1-[4-(2-hydroxyethyl)-1-piperidinyl]-1-oxo-2-pentanyl}-3-methyl-1,2,3,4-tetrahydro-8-quinolinesulfonamide [ACD/IUPAC Name]
3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid {4-guanidino-1-[4-(2-hydroxy-ethyl)-piperidine-1-carbonyl]-butyl}-amide
CHEMBL423014
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL423014/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 769.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 419.3±35.7 °C
Index of Refraction: 1.661
Molar Refractivity: 129.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.85
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 172 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 349.4±7.0 cm3

Click to predict properties on the Chemicalize site


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