ChemSpider 2D Image | 1-[3-({4-[(5S)-3,3-Dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]-1-piperidinyl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea | C27H36N4O4S

1-[3-({4-[(5S)-3,3-Dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]-1-piperidinyl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea

  • Molecular FormulaC27H36N4O4S
  • Average mass512.664 Da
  • Monoisotopic mass512.245728 Da
  • ChemSpider ID26325263
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-[3-({4-[(5S)-3,3-Dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]-1-piperidinyl}carbonyl)-1-benzothiophen-2-yl]-3-ethylharnstoff [German] [ACD/IUPAC Name]
1-[3-({4-[(5S)-3,3-Dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]-1-piperidinyl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea [ACD/IUPAC Name]
1-[3-({4-[(5S)-3,3-Diméthyl-1-oxo-2-oxa-7-azaspiro[4.5]déc-7-yl]-1-pipéridinyl}carbonyl)-1-benzothiophén-2-yl]-3-éthylurée [French] [ACD/IUPAC Name]
1-[3-({4-[(5s)-3,3-Dimethyl-1-Oxo-2-Oxa-7-Azaspiro[4.5]dec-7-Yl]piperidin-1-Yl}carbonyl)-1-Benzothiophen-2-Yl]-3-Ethylurea
Urea, N-[3-[[4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]-1-piperidinyl]carbonyl]benzo[b]thien-2-yl]-N'-ethyl- [ACD/Index Name]
0EU

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.6±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 141.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 3.55
ACD/KOC (pH 5.5): 15.42
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 167.48
ACD/KOC (pH 7.4): 728.57
Polar Surface Area: 119 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 392.2±5.0 cm3

Click to predict properties on the Chemicalize site






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