ChemSpider 2D Image | Ethyl 2-acetamido-4-methyl-5-{(1E)-N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]ethanehydrazonoyl}-3-thiophenecarboxylate | C22H27N5O8S2

Ethyl 2-acetamido-4-methyl-5-{(1E)-N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]ethanehydrazonoyl}-3-thiophenecarboxylate

  • Molecular FormulaC22H27N5O8S2
  • Average mass553.609 Da
  • Monoisotopic mass553.130127 Da
  • ChemSpider ID17105174

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Acétamido-4-méthyl-5-{(1E)-N-[4-(4-morpholinylsulfonyl)-2-nitrophényl]ethanehydrazonoyl}-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-(acetylamino)-4-methyl-5-[(1E)-1-[2-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]hydrazinylidene]ethyl]-, ethyl ester [ACD/Index Name]
Ethyl 2-acetamido-4-methyl-5-{(1E)-N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]ethanehydrazonoyl}-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-2-acetamido-4-methyl-5-{(1E)-N-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]ethanehydrazonoyl}-3-thiophencarboxylat [German] [ACD/IUPAC Name]
ETHYL 2-ACETAMIDO-4-METHYL-5-[(1E)-1-{2-[4-(MORPHOLINE-4-SULFONYL)-2-NITROPHENYL]HYDRAZIN-1-YLIDENE}ETHYL]THIOPHENE-3-CARBOXYLATE

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 685.48
ACD/KOC (pH 5.5): 3729.10
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 685.48
ACD/KOC (pH 7.4): 3729.11
Polar Surface Area: 209 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 369.8±7.0 cm3

Click to predict properties on the Chemicalize site


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