Found 219 results

Search term: MF = 'C_{30}H_{38}N_{4}O_{2}S'
ChemSpider 2D Image | N-Isobutyl-2-[4-(2-methylphenyl)-1-(3-methylphenyl)-3-(2-methyl-2-propanyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide | C30H38N4O2S

N-Isobutyl-2-[4-(2-methylphenyl)-1-(3-methylphenyl)-3-(2-methyl-2-propanyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide

  • Molecular FormulaC30H38N4O2S
  • Average mass518.713 Da
  • Monoisotopic mass518.271545 Da
  • ChemSpider ID21546594

More details:

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

8H-Pyrazolo[3,4-e][1,4]thiazepine-8-acetamide, 3-(1,1-dimethylethyl)-1,4,6,7-tetrahydro-4-(2-methylphenyl)-1-(3-methylphenyl)-N-(2-methylpropyl)-7-oxo- [ACD/Index Name]
N-Isobutyl-2-[4-(2-methylphenyl)-1-(3-methylphenyl)-3-(2-methyl-2-propanyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamid [German] [ACD/IUPAC Name]
N-Isobutyl-2-[4-(2-methylphenyl)-1-(3-methylphenyl)-3-(2-methyl-2-propanyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide [ACD/IUPAC Name]
N-Isobutyl-2-[4-(2-méthylphényl)-1-(3-méthylphényl)-3-(2-méthyl-2-propanyl)-7-oxo-1,4,6,7-tétrahydro-8H-pyrazolo[3,4-e][1,4]thiazépin-8-yl]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: 744.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 404.0±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 153.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14120.73
ACD/KOC (pH 5.5): 32511.98
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14122.11
ACD/KOC (pH 7.4): 32515.16
Polar Surface Area: 93 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 440.2±7.0 cm3

Click to predict properties on the Chemicalize site


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