Found 15 results

Search term: MF = 'C_{29}H_{33}F_{3}N_{6}O_{4}S'
ChemSpider 2D Image | (5E)-10-Amino-13-methyl-13-(1H-pyrazol-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-2-thia-3,12,15-triazabicyclo[15.3.1]henicosa-1(21),5,17,19-tetraene-11,16-dione 2,2-dioxide | C29H33F3N6O4S

(5E)-10-Amino-13-methyl-13-(1H-pyrazol-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-2-thia-3,12,15-triazabicyclo[15.3.1]henicosa-1(21),5,17,19-tetraene-11,16-dione 2,2-dioxide

  • Molecular FormulaC29H33F3N6O4S
  • Average mass618.670 Da
  • Monoisotopic mass618.223633 Da
  • ChemSpider ID103732150

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E) 2,2-Dioxyde de 10-amino-13-méthyl-13-(1H-pyrazol-1-ylméthyl)-3-[3-(trifluorométhyl)phényl]-2-thia-3,12,15-triazabicyclo[15.3.1]hénicosa-1(21),5,17,19-tétraène-11,16-dione [French] [ACD/IUPAC Name]
(5E)-10-Amino-13-methyl-13-(1H-pyrazol-1-ylmethyl)-3-[3-(trifluormethyl)phenyl]-2-thia-3,12,15-triazabicyclo[15.3.1]henicosa-1(21),5,17,19-tetraen-11,16-dion-2,2-dioxid [German] [ACD/IUPAC Name]
(5E)-10-Amino-13-methyl-13-(1H-pyrazol-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-2-thia-3,12,15-triazabicyclo[15.3.1]henicosa-1(21),5,17,19-tetraene-11,16-dione 2,2-dioxide [ACD/IUPAC Name]
2-Thia-3,12,15-triazabicyclo[15.3.1]heneicosa-1(21),5,17,19-tetraene-11,16-dione, 10-amino-13-methyl-13-(1H-pyrazol-1-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-, 2,2-dioxide, (5E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 156.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.86
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 4.74
ACD/KOC (pH 7.4): 81.72
Polar Surface Area: 148 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 450.3±7.0 cm3

Click to predict properties on the Chemicalize site


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