Found 238 results

Search term: MF = 'C_{27}H_{30}N_{2}O_{4}S_{2}'
ChemSpider 2D Image | (4R)-N-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-[(4-methoxyphenyl)sulfanyl]-1-(2-naphthylmethyl)-L-prolinamide | C27H30N2O4S2

(4R)-N-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-[(4-methoxyphenyl)sulfanyl]-1-(2-naphthylmethyl)-L-prolinamide

  • Molecular FormulaC27H30N2O4S2
  • Average mass510.668 Da
  • Monoisotopic mass510.164703 Da
  • ChemSpider ID22858834

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4R)-N-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-[(4-methoxyphenyl)sulfanyl]-1-(2-naphthylmethyl)-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-N-(1,1-Dioxidotetrahydro-3-thiophenyl)-4-[(4-methoxyphenyl)sulfanyl]-1-(2-naphthylmethyl)-L-prolinamide [ACD/IUPAC Name]
(4R)-N-(1,1-Dioxydotétrahydro-3-thiophényl)-4-[(4-méthoxyphényl)sulfanyl]-1-(2-naphtylméthyl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-[(4-methoxyphenyl)thio]-1-(2-naphthalenylmethyl)-N-(tetrahydro-1,1-dioxido-3-thienyl)-, (2S,4R)- [ACD/Index Name]
(4R)-N-(1,1-dioxidotetrahydro-3-thienyl)-4-[(4-methoxyphenyl)thio]-1-(2-naphthylmethyl)-L-prolinamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 786.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 429.3±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 142.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 20.44
ACD/KOC (pH 5.5): 167.13
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 150.12
ACD/KOC (pH 7.4): 1227.51
Polar Surface Area: 109 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 376.0±5.0 cm3

Click to predict properties on the Chemicalize site


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