ChemSpider 2D Image | Ethyl N-[({4-[3-(dimethylamino)propyl]-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-N-(3-nitrophenyl)glycinate | C24H29N7O5S

Ethyl N-[({4-[3-(dimethylamino)propyl]-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-N-(3-nitrophenyl)glycinate

  • Molecular FormulaC24H29N7O5S
  • Average mass527.596 Da
  • Monoisotopic mass527.195068 Da
  • ChemSpider ID2419211

More details:

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

Ethyl N-[({4-[3-(dimethylamino)propyl]-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-N-(3-nitrophenyl)glycinate [ACD/IUPAC Name]
Ethyl-N-[({4-[3-(dimethylamino)propyl]-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]-N-(3-nitrophenyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-[2-[[4-[3-(dimethylamino)propyl]-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]-N-(3-nitrophenyl)-, ethyl ester [ACD/Index Name]
N-[2-({4-[3-(Diméthylamino)propyl]-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acétyl]-N-(3-nitrophényl)glycinate d'éthyle [French] [ACD/IUPAC Name]

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

ASN 02562698 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 720.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.7±35.7 °C
Index of Refraction: 1.636
Molar Refractivity: 142.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.61
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.33
Polar Surface Area: 165 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 397.7±7.0 cm3

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