ChemSpider 2D Image | (2R)-3-(1-Amino-7-methoxy-6-isoquinolinyl)-2-[(3S)-2-oxo-3-({[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]sulfonyl}amino)-1-pyrrolidinyl]propanoic acid | C24H28N6O6S2

(2R)-3-(1-Amino-7-methoxy-6-isoquinolinyl)-2-[(3S)-2-oxo-3-({[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]sulfonyl}amino)-1-pyrrolidinyl]propanoic acid

  • Molecular FormulaC24H28N6O6S2
  • Average mass560.646 Da
  • Monoisotopic mass560.151184 Da
  • ChemSpider ID76822868

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-(1-Amino-7-methoxy-6-isochinolinyl)-2-[(3S)-2-oxo-3-({[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]sulfonyl}amino)-1-pyrrolidinyl]propansäure [German] [ACD/IUPAC Name]
(2R)-3-(1-Amino-7-methoxy-6-isoquinolinyl)-2-[(3S)-2-oxo-3-({[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]sulfonyl}amino)-1-pyrrolidinyl]propanoic acid [ACD/IUPAC Name]
6-Isoquinolinepropanoic acid, 1-amino-7-methoxy-α-[(3S)-2-oxo-3-[[[2-(1-pyrrolidinyl)-5-thiazolyl]sulfonyl]amino]-1-pyrrolidinyl]-, (αR)- [ACD/Index Name]
Acide (2R)-3-(1-amino-7-méthoxy-6-isoquinoléinyl)-2-[(3S)-2-oxo-3-({[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]sulfonyl}amino)-1-pyrrolidinyl]propanoïque [French] [ACD/IUPAC 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: 870.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.6±3.0 kJ/mol
Flash Point: 480.5±37.1 °C
Index of Refraction: 1.725
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 93.4±5.0 dyne/cm
Molar Volume: 356.7±5.0 cm3

Click to predict properties on the Chemicalize site


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