ChemSpider 2D Image | N-{[(2R)-1-(Cyclopropylmethyl)-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-4-iodo-2-methoxybenzenecarboximidic acid | C19H27IN2O4S

N-{[(2R)-1-(Cyclopropylmethyl)-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-4-iodo-2-methoxybenzenecarboximidic acid

  • Molecular FormulaC19H27IN2O4S
  • Average mass506.398 Da
  • Monoisotopic mass506.073608 Da
  • ChemSpider ID57643529

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acide N-{[(2R)-1-(cyclopropylméthyl)-2-pyrrolidinyl]méthyl}-5-(éthylsulfonyl)-4-iodo-2-méthoxybenzènecarboximidique [French] [ACD/IUPAC Name]
Benzenecarboximidic acid, N-[[(2R)-1-(cyclopropylmethyl)-2-pyrrolidinyl]methyl]-5-(ethylsulfonyl)-4-iodo-2-methoxy- [ACD/Index Name]
N-{[(2R)-1-(Cyclopropylmethyl)-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-4-iod-2-methoxybenzolcarboximidsäure [German] [ACD/IUPAC Name]
N-{[(2R)-1-(Cyclopropylmethyl)-2-pyrrolidinyl]methyl}-5-(ethylsulfonyl)-4-iodo-2-methoxybenzenecarboximidic acid [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: 637.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.4±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 113.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.03
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.97
Polar Surface Area: 88 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 308.3±7.0 cm3

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