ChemSpider 2D Image | 2-{(3S)-3-Isobutyl-4-[(4-methylphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[5.5]undec-8-yl}-N-(4-isopropylphenyl)acetamide | C30H43N3O4S

2-{(3S)-3-Isobutyl-4-[(4-methylphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[5.5]undec-8-yl}-N-(4-isopropylphenyl)acetamide

  • Molecular FormulaC30H43N3O4S
  • Average mass541.745 Da
  • Monoisotopic mass541.297424 Da
  • ChemSpider ID68381510

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Oxa-4,8-diazaspiro[5.5]undecane-8-acetamide, N-[4-(1-methylethyl)phenyl]-4-[(4-methylphenyl)sulfonyl]-3-(2-methylpropyl)-, (3S)- [ACD/Index Name]
2-{(3S)-3-Isobutyl-4-[(4-methylphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[5.5]undec-8-yl}-N-(4-isopropylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{(3S)-3-Isobutyl-4-[(4-methylphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[5.5]undec-8-yl}-N-(4-isopropylphenyl)acetamide [ACD/IUPAC Name]
2-{(3S)-3-Isobutyl-4-[(4-méthylphényl)sulfonyl]-1-oxa-4,8-diazaspiro[5.5]undéc-8-yl}-N-(4-isopropylphényl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 152.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 789.86
ACD/KOC (pH 5.5): 1523.52
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 18572.36
ACD/KOC (pH 7.4): 35823.13
Polar Surface Area: 87 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 448.4±5.0 cm3

Click to predict properties on the Chemicalize site


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