ChemSpider 2D Image | N-[(7-{(2E)-3-[4-(Dimethylamino)phenyl]-2-propen-1-yl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)methyl]-2-propanesulfonamide | C21H32N6O2S

N-[(7-{(2E)-3-[4-(Dimethylamino)phenyl]-2-propen-1-yl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)methyl]-2-propanesulfonamide

  • Molecular FormulaC21H32N6O2S
  • Average mass432.583 Da
  • Monoisotopic mass432.230743 Da
  • ChemSpider ID22836689

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Propanesulfonamide, N-[[7-[(2E)-3-[4-(dimethylamino)phenyl]-2-propen-1-yl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]methyl]- [ACD/Index Name]
N-[(7-{(2E)-3-[4-(Dimethylamino)phenyl]-2-propen-1-yl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)methyl]-2-propanesulfonamide [ACD/IUPAC Name]
N-[(7-{(2E)-3-[4-(Diméthylamino)phényl]-2-propén-1-yl}-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl)méthyl]-2-propanesulfonamide [French] [ACD/IUPAC Name]
N-[(7-{(2E)-3-[4-(Dimethylamino)phenyl]-2-propen-1-yl}-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)methyl]-2-propansulfonamid [German] [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: 659.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.8±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 121.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.74
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 10.88
ACD/KOC (pH 7.4): 176.74
Polar Surface Area: 92 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 348.2±7.0 cm3

Click to predict properties on the Chemicalize site


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