Found 142 results

Search term: MF = 'C_{30}H_{39}N_{5}O_{4}S'
ChemSpider 2D Image | N-[2-(Dimethylamino)ethyl]-2-[4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-(2-methyl-2-propanyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide | C30H39N5O4S

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

  • Molecular FormulaC30H39N5O4S
  • Average mass565.727 Da
  • Monoisotopic mass565.272278 Da
  • ChemSpider ID22599389

More details:

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

8H-Pyrazolo[3,4-e][1,4]thiazepine-8-acetamide, N-[2-(dimethylamino)ethyl]-3-(1,1-dimethylethyl)-1,4,6,7-tetrahydro-4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-7-oxo- [ACD/Index Name]
N-[2-(Dimethylamino)ethyl]-2-[4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-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-[2-(Dimethylamino)ethyl]-2-[4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-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-[2-(Diméthylamino)éthyl]-2-[4-(2-méthoxyphényl)-1-(4-méthoxyphényl)-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: 769.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.3±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 160.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 3.99
ACD/KOC (pH 5.5): 20.69
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 201.68
ACD/KOC (pH 7.4): 1044.42
Polar Surface Area: 114 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 463.8±7.0 cm3

Click to predict properties on the Chemicalize site


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