ChemSpider 2D Image | (3-{3-[3-(Methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-2(1H)-isoquinolinyl]-3-oxopropyl}phenyl)sulfamic acid | C20H24N4O8S2

(3-{3-[3-(Methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-2(1H)-isoquinolinyl]-3-oxopropyl}phenyl)sulfamic acid

  • Molecular FormulaC20H24N4O8S2
  • Average mass512.557 Da
  • Monoisotopic mass512.103577 Da
  • ChemSpider ID13194413

More details:

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

(3-{3-[3-(Methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-2(1H)-isochinolinyl]-3-oxopropyl}phenyl)sulfamidsäure [German] [ACD/IUPAC Name]
(3-{3-[3-(Methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-2(1H)-isoquinolinyl]-3-oxopropyl}phenyl)sulfamic acid [ACD/IUPAC Name]
Acide (3-{3-[3-(méthylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-2(1H)-isoquinoléinyl]-3-oxopropyl}phényl)sulfamique [French] [ACD/IUPAC Name]
Sulfamic acid, N-[3-[3-[3,4-dihydro-3-[(methylamino)carbonyl]-7-(sulfoamino)-2(1H)-isoquinolinyl]-3-oxopropyl]phenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 122.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -6.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 87.8±3.0 dyne/cm
Molar Volume: 318.8±3.0 cm3

Click to predict properties on the Chemicalize site


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