Found 3 results

Search term: ITXRIKOYRWVLAY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl (2S)-2-(carbamoylsulfanyl)-3-{4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl}propanoate | C21H26N2O4S

Ethyl (2S)-2-(carbamoylsulfanyl)-3-{4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl}propanoate

  • Molecular FormulaC21H26N2O4S
  • Average mass402.507 Da
  • Monoisotopic mass402.161316 Da
  • ChemSpider ID34986498

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Carbamoylsulfanyl)-3-{4-[2-(5-éthyl-2-pyridinyl)éthoxy]phényl}propanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[(aminocarbonyl)thio]-4-[2-(5-ethyl-2-pyridinyl)ethoxy]-, ethyl ester, (αS)- [ACD/Index Name]
Ethyl (2S)-2-(carbamoylsulfanyl)-3-{4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl}propanoate [ACD/IUPAC Name]
Ethyl-(2S)-2-(carbamoylsulfanyl)-3-{4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl}propanoat [German] [ACD/IUPAC Name]
868754-41-0 [RN]
ETHYL (2RS)-2-(CARBAMOYLSULFANYL)-3-(4-(2-(5-ETHYLPYRIDIN-2-YL)ETHOXY)PHENYL)PROPANOATE
UNII-6N6H6PIN5L

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

Density: 1.2±0.1 g/cm3
Boiling Point: 582.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.0±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 145.37
ACD/KOC (pH 5.5): 1000.12
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 296.11
ACD/KOC (pH 7.4): 2037.17
Polar Surface Area: 117 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 334.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement