ChemSpider 2D Image | N-[({4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]phenyl}sulfonyl)carbamoyl]cyclohexanaminium | C27H34N3O6S

N-[({4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]phenyl}sulfonyl)carbamoyl]cyclohexanaminium

  • Molecular FormulaC27H34N3O6S
  • Average mass528.640 Da
  • Monoisotopic mass528.216309 Da
  • ChemSpider ID21234644
  • Charge - Charge


More details:






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

Benzenesulfonamide, N-[(cyclohexylamino)carbonyl]-4-[2-(3,4-dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl]-, conjugate monoacid [ACD/Index Name]
N-[({4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isochinolinyl)ethyl]phenyl}sulfonyl)carbamoyl]cyclohexanaminium [German] [ACD/IUPAC Name]
N-[({4-[2-(7-Méthoxy-4,4-diméthyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinoléinyl)éthyl]phényl}sulfonyl)carbamoyl]cyclohexanaminium [French] [ACD/IUPAC Name]
N-[({4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)ethyl]phenyl}sulfonyl)carbamoyl]cyclohexanaminium [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 742.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.6±3.0 kJ/mol
Flash Point: 402.9±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 9.09
ACD/KOC (pH 5.5): 63.22
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 2.95
ACD/KOC (pH 7.4): 20.48
Polar Surface Area: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

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