Found 830 results

Search term: MF = 'C_{21}H_{31}N_{5}O_{3}S'
ChemSpider 2D Image | N-(1-{7-[(2E)-3-(2-Methoxyphenyl)-2-propen-1-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-2-methylpropyl)methanesulfonamide | C21H31N5O3S

N-(1-{7-[(2E)-3-(2-Methoxyphenyl)-2-propen-1-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-2-methylpropyl)methanesulfonamide

  • Molecular FormulaC21H31N5O3S
  • Average mass433.568 Da
  • Monoisotopic mass433.214752 Da
  • ChemSpider ID22865206

  • Double-bond stereo - Double-bond stereo

More details:

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

Methanesulfonamide, N-[2-methyl-1-[6,7,8,9-tetrahydro-7-[(2E)-3-(2-methoxyphenyl)-2-propen-1-yl]-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]propyl]- [ACD/Index Name]
N-(1-{7-[(2E)-3-(2-Methoxyphenyl)-2-propen-1-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-2-methylpropyl)methanesulfonamide [ACD/IUPAC Name]
N-(1-{7-[(2E)-3-(2-Méthoxyphényl)-2-propén-1-yl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl}-2-méthylpropyl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-(1-{7-[(2E)-3-(2-Methoxyphenyl)-2-propen-1-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}-2-methylpropyl)methansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.6±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 16.53
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.07
ACD/KOC (pH 7.4): 207.58
Polar Surface Area: 98 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 343.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement