ChemSpider 2D Image | EMD638683 S-Form | C18H18F2N2O4

EMD638683 S-Form

  • Molecular FormulaC18H18F2N2O4
  • Average mass364.343 Da
  • Monoisotopic mass364.123474 Da
  • ChemSpider ID28637798

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1184940-46-2 [RN]
Benzeneacetic acid, 3,5-difluoro-α-hydroxy-, 2-(2-ethyl-4-hydroxy-3-methylbenzoyl)hydrazide, (αS)- [ACD/Index Name]
EMD638683 S-Form
N'-[(2S)-2-(3,5-Difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide [ACD/IUPAC Name]
N'-[(2S)-2-(3,5-Difluorophényl)-2-hydroxyacétyl]-2-éthyl-4-hydroxy-3-méthylbenzohydrazide [French] [ACD/IUPAC Name]
N'-[(2S)-2-(3,5-Difluorphenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazid [German] [ACD/IUPAC Name]
(S)-N'-(2-(3,5-difluorophenyl)-2-hydroxyacetyl)-2-ethyl-4-hydroxy-3-methylbenzohydrazide
[1184940-46-2] [RN]
1-(2-Hydroxyethyl)cyclopropanol [ACD/IUPAC Name]
EMD 638683 (S-Form)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 657.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.5±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.46
ACD/KOC (pH 5.5): 301.88
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 18.99
ACD/KOC (pH 7.4): 280.13
Polar Surface Area: 99 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 267.1±3.0 cm3

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