ChemSpider 2D Image | 1-(3-{[4-(3-Ethyl-2-isopropyl-4-oxo-1,3,7-triazaspiro[4.5]dec-1-en-7-yl)-1-piperidinyl]carbonyl}-1-benzothiophen-2-yl)urea | C27H36N6O3S

1-(3-{[4-(3-Ethyl-2-isopropyl-4-oxo-1,3,7-triazaspiro[4.5]dec-1-en-7-yl)-1-piperidinyl]carbonyl}-1-benzothiophen-2-yl)urea

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID28509000

More details:

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

1-(3-{[4-(3-Ethyl-2-isopropyl-4-oxo-1,3,7-triazaspiro[4.5]dec-1-en-7-yl)-1-piperidinyl]carbonyl}-1-benzothiophen-2-yl)harnstoff [German] [ACD/IUPAC Name]
1-(3-{[4-(3-Ethyl-2-isopropyl-4-oxo-1,3,7-triazaspiro[4.5]dec-1-en-7-yl)-1-piperidinyl]carbonyl}-1-benzothiophen-2-yl)urea [ACD/IUPAC Name]
1-(3-{[4-(3-Éthyl-2-isopropyl-4-oxo-1,3,7-triazaspiro[4.5]déc-1-én-7-yl)-1-pipéridinyl]carbonyl}-1-benzothiophén-2-yl)urée [French] [ACD/IUPAC Name]
Urea, N-[3-[[4-[3-ethyl-2-(1-methylethyl)-4-oxo-1,3,7-triazaspiro[4.5]dec-1-en-7-yl]-1-piperidinyl]carbonyl]benzo[b]thien-2-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 144.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.77
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 5.16
ACD/KOC (pH 7.4): 39.09
Polar Surface Area: 140 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 371.7±7.0 cm3

Click to predict properties on the Chemicalize site


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