ChemSpider 2D Image | N-[(2-Amino-6-methyl-4-pyrimidinyl)methyl]-3-{[(E)-(2-oxodihydro-3(2H)-furanylidene)methyl]amino}benzenesulfonamide | C17H19N5O4S

N-[(2-Amino-6-methyl-4-pyrimidinyl)methyl]-3-{[(E)-(2-oxodihydro-3(2H)-furanylidene)methyl]amino}benzenesulfonamide

  • Molecular FormulaC17H19N5O4S
  • Average mass389.429 Da
  • Monoisotopic mass389.115784 Da
  • ChemSpider ID22376453

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzenesulfonamide, N-[(2-amino-6-methyl-4-pyrimidinyl)methyl]-3-[[(E)-(dihydro-2-oxo-3(2H)-furanylidene)methyl]amino]- [ACD/Index Name]
N-[(2-Amino-6-methyl-4-pyrimidinyl)methyl]-3-{[(E)-(2-oxodihydro-3(2H)-furanyliden)methyl]amino}benzolsulfonamid [German] [ACD/IUPAC Name]
N-[(2-Amino-6-methyl-4-pyrimidinyl)methyl]-3-{[(E)-(2-oxodihydro-3(2H)-furanylidene)methyl]amino}benzenesulfonamide [ACD/IUPAC Name]
N-[(2-Amino-6-méthyl-4-pyrimidinyl)méthyl]-3-{[(E)-(2-oxodihydro-3(2H)-furanylidène)méthyl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A94
N-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-({[(3E)-2-oxooxolan-3-ylidene]methyl}amino)benzene-1-sulfonamide
N-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-({[(3E)-2-oxooxolan-3-ylidene]methyl}amino)benzenesulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 724.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.2±35.7 °C
Index of Refraction: 1.694
Molar Refractivity: 98.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.29
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.21
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 37.28
Polar Surface Area: 145 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 88.9±3.0 dyne/cm
Molar Volume: 257.1±3.0 cm3

Click to predict properties on the Chemicalize site


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