ChemSpider 2D Image | 4-(2-((5-Isoquinolinylsulfonyl)amino)-3-(4-phenyl-1-piperazinyl)propyl)phenyl 5-isoquinolinesulfonate | C37H35N5O5S2

4-(2-((5-Isoquinolinylsulfonyl)amino)-3-(4-phenyl-1-piperazinyl)propyl)phenyl 5-isoquinolinesulfonate

  • Molecular FormulaC37H35N5O5S2
  • Average mass693.834 Da
  • Monoisotopic mass693.207947 Da
  • ChemSpider ID115919

More details:

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

4-(2-((5-Isoquinolinylsulfonyl)amino)-3-(4-phenyl-1-piperazinyl)propyl)phenyl 5-isoquinolinesulfonate
4-{2-[(5-Isochinolinylsulfonyl)amino]-3-(4-phenyl-1-piperazinyl)propyl}phenyl-5-isochinolinsulfonat [German] [ACD/IUPAC Name]
4-{2-[(5-Isoquinolinylsulfonyl)amino]-3-(4-phenyl-1-piperazinyl)propyl}phenyl 5-isoquinolinesulfonate [ACD/IUPAC Name]
5-Isoquinoléinesulfonate de 4-{2-[(5-isoquinoléinylsulfonyl)amino]-3-(4-phényl-1-pipérazinyl)propyl}phényle [French] [ACD/IUPAC Name]
5-Isoquinolinesulfonic acid, 4-(2-((5-isoquinolinylsulfonyl)amino)-3-(4-phenyl-1-piperazinyl)propyl)phenyl ester
5-Isoquinolinesulfonic acid, 4-[2-[(5-isoquinolinylsulfonyl)amino]-3-(4-phenyl-1-piperazinyl)propyl]phenyl ester [ACD/Index Name]
129695-80-3 [RN]
4-(2-((5-ISOQUINOLINYLSULFONYL)AMINO)-3-(4-PHENYL-(PIPERAZIN-1-YL))PROPYL)PHENYL 5-ISOQUINOLINESULFONATE
4-(2-(Isoquinoline-5-sulfonamido)-3-(4-phenylpiperazin-1-yl)propyl)phenyl isoquinoline-5-sulfonate
N-(1-(P-(5-Isoquinolinesulfonyl)benzyl)-2-(4-phenylpiperazinyl)ethyl)-5-isoquinolinesulfonamide

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

KN 04 [DBID]
KN-04 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 916.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 508.1±37.1 °C
Index of Refraction: 1.678
Molar Refractivity: 192.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 685.28
ACD/KOC (pH 5.5): 2043.19
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5188.35
ACD/KOC (pH 7.4): 15469.25
Polar Surface Area: 139 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 511.2±3.0 cm3

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