ChemSpider 2D Image | N-{2-[(4-Isopropylphenyl){2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl}amino]-2-oxoethyl}-2-thiophenecarboxamide | C31H39N3O6S

N-{2-[(4-Isopropylphenyl){2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl}amino]-2-oxoethyl}-2-thiophenecarboxamide

  • Molecular FormulaC31H39N3O6S
  • Average mass581.723 Da
  • Monoisotopic mass581.255981 Da
  • ChemSpider ID2467041

More details:

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

2-Thiophenecarboxamide, N-[2-[[2-[(1,1-dimethylethyl)amino]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl][4-(1-methylethyl)phenyl]amino]-2-oxoethyl]- [ACD/Index Name]
N-{2-[(4-Isopropylphenyl){2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl}amino]-2-oxoethyl}-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-{2-[(4-Isopropylphenyl){2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl}amino]-2-oxoethyl}-2-thiophenecarboxamide [ACD/IUPAC Name]
N-{2-[(4-Isopropylphényl){2-[(2-méthyl-2-propanyl)amino]-2-oxo-1-(3,4,5-triméthoxyphényl)éthyl}amino]-2-oxoéthyl}-2-thiophènecarboxamide [French] [ACD/IUPAC Name]
Thiophene-2-carboxylic acid {[[tert-butylcarbamoyl-(3,4,5-trimethoxy-phenyl)-methyl]-(4-isopropyl-phenyl)-carbamoyl]-methyl}-amide

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

ASN 05990491 [DBID]
MLS000555716 [DBID]
SMR000173256 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 789.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 431.5±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 162.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 267.76
ACD/KOC (pH 5.5): 1902.77
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 267.76
ACD/KOC (pH 7.4): 1902.74
Polar Surface Area: 134 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 487.3±3.0 cm3

Click to predict properties on the Chemicalize site


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