ChemSpider 2D Image | (S)-ns-1209 | C24H28N4O7S

(S)-ns-1209

  • Molecular FormulaC24H28N4O7S
  • Average mass516.567 Da
  • Monoisotopic mass516.167847 Da
  • ChemSpider ID5290479

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[({5-[4-(Dimethylsulfamoyl)phenyl]-8-methyl-2-oxo-6,7,8,9-tetrahydro-2H-pyrrolo[3,2-h]isochinolin-3-yl}amino)oxy]-4-hydroxybutansäure [German] [ACD/IUPAC Name]
(2S)-2-[({5-[4-(Dimethylsulfamoyl)phenyl]-8-methyl-2-oxo-6,7,8,9-tetrahydro-2H-pyrrolo[3,2-h]isoquinolin-3-yl}amino)oxy]-4-hydroxybutanoic acid [ACD/IUPAC Name]
(S)-ns-1209
666706-39-4 [RN]
Acide (2S)-2-[({5-[4-(diméthylsulfamoyl)phényl]-8-méthyl-2-oxo-6,7,8,9-tétrahydro-2H-pyrrolo[3,2-h]isoquinoléin-3-yl}amino)oxy]-4-hydroxybutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[[5-[4-[(dimethylamino)sulfonyl]phenyl]-6,7,8,9-tetrahydro-8-methyl-2-oxo-2H-pyrrolo[3,2-h]isoquinolin-3-yl]amino]oxy]-4-hydroxy-, (2S)- [ACD/Index Name]
2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-λ4-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID
233603-82-2 [RN]
M1L
NS-1209, (S)-

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

6901307Z5U [DBID]
UNII:6901307Z5U [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 755.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 411.0±35.7 °C
Index of Refraction: 1.675
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.20
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 348.7±7.0 cm3

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