ChemSpider 2D Image | tert-Butyl 4-amino-1-benzyl-2-thia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate 2,2-dioxide | C19H27N3O4S

tert-Butyl 4-amino-1-benzyl-2-thia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate 2,2-dioxide

  • Molecular FormulaC19H27N3O4S
  • Average mass393.500 Da
  • Monoisotopic mass393.172241 Da
  • ChemSpider ID28294249

More details:

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

1255574-63-0 [RN]
2,2-Dioxyde de 4-amino-1-benzyl-2-thia-1,8-diazaspiro[4.5]déc-3-ène-8-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-amino-1-benzyl-2-thia-1,8-diazaspiro[4.5]dec-3-en-8-carboxylat-2,2-dioxid [German] [ACD/IUPAC Name]
tert-Butyl 4-amino-1-benzyl-2-thia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate 2,2-dioxide
[1255574-63-0] [RN]
2-Methyl-2-propanyl 4-amino-1-benzyl-2-thia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate 2,2-dioxide [ACD/IUPAC Name]
2-Thia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid, 4-amino-1-(phenylmethyl)-, 1,1-dimethylethyl ester, 2,2-dioxide [ACD/Index Name]
MFCD17214271
OT-1381
tert-Butyl 4-amino-1-benzyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 545.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.5±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.78
ACD/KOC (pH 5.5): 450.36
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.83
ACD/KOC (pH 7.4): 450.97
Polar Surface Area: 101 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 298.1±5.0 cm3

Click to predict properties on the Chemicalize site


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