ChemSpider 2D Image | {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID | C20H24N4O8S2

{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID

  • Molecular FormulaC20H24N4O8S2
  • Average mass512.557 Da
  • Monoisotopic mass512.103577 Da
  • ChemSpider ID4484398

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3-{3-[(3S)-3-(Methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-2(1H)-isochinolinyl]-3-oxopropyl}phenyl)sulfamidsäure [German] [ACD/IUPAC Name]
(3-{3-[(3S)-3-(Methylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-2(1H)-isoquinolinyl]-3-oxopropyl}phenyl)sulfamic acid [ACD/IUPAC Name]
{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID
Acide (3-{3-[(3S)-3-(méthylcarbamoyl)-7-(sulfoamino)-3,4-dihydro-2(1H)-isoquinoléinyl]-3-oxopropyl}phényl)sulfamique [French] [ACD/IUPAC Name]
Sulfamic acid, N-[3-[3-[(3S)-3,4-dihydro-3-[(methylamino)carbonyl]-7-(sulfoamino)-2(1H)-isoquinolinyl]-3-oxopropyl]phenyl]- [ACD/Index Name]
875662-69-4 [RN]
N-[3-[3-[(3S)-3,4-DIHYDRO-3-[(METHYLAMINO)CARBONYL]-7-(SULFOAMINO)-2(1H)-ISOQUINOLINYL]-3-OXOPROPYL]PHENYL]SULFAMIC ACID
Sulfamic acid,N-[3-[3-[(3S)-3,4-dihydro-3-[(methylamino)carbonyl]-7-(sulfoamino)-2(1H)-isoquinolinyl]-3-oxopropyl]phenyl]-

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

UN5 [DBID]

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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