ChemSpider 2D Image | 4-{[(3S)-3-{[(7-Methoxy-2-naphthyl)sulfonyl](3-thienylmethyl)amino}-2-oxo-1-pyrrolidinyl]methyl}-2-thiophenecarboximidamide | C26H26N4O4S3

4-{[(3S)-3-{[(7-Methoxy-2-naphthyl)sulfonyl](3-thienylmethyl)amino}-2-oxo-1-pyrrolidinyl]methyl}-2-thiophenecarboximidamide

  • Molecular FormulaC26H26N4O4S3
  • Average mass554.704 Da
  • Monoisotopic mass554.111633 Da
  • ChemSpider ID28529714

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Thiophenecarboximidamide, 4-[[(3S)-3-[[(7-methoxy-2-naphthalenyl)sulfonyl](3-thienylmethyl)amino]-2-oxo-1-pyrrolidinyl]methyl]- [ACD/Index Name]
4-{[(3S)-3-{[(7-Methoxy-2-naphthyl)sulfonyl](3-thienylmethyl)amino}-2-oxo-1-pyrrolidinyl]methyl}-2-thiophencarboximidamid [German] [ACD/IUPAC Name]
4-{[(3S)-3-{[(7-Methoxy-2-naphthyl)sulfonyl](3-thienylmethyl)amino}-2-oxo-1-pyrrolidinyl]methyl}-2-thiophenecarboximidamide [ACD/IUPAC Name]
4-{[(3S)-3-{[(7-Méthoxy-2-naphtyl)sulfonyl](3-thiénylméthyl)amino}-2-oxo-1-pyrrolidinyl]méthyl}-2-thiophènecarboximidamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 809.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 443.3±37.1 °C
Index of Refraction: 1.724
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 12.15
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 12.27
Polar Surface Area: 182 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 375.3±7.0 cm3

Click to predict properties on the Chemicalize site


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