ChemSpider 2D Image | N-{[3-(4-Amino-2-methyl-7-quinazolinyl)phenyl]sulfonyl}-L-threoninamide | C19H21N5O4S

N-{[3-(4-Amino-2-methyl-7-quinazolinyl)phenyl]sulfonyl}-L-threoninamide

  • Molecular FormulaC19H21N5O4S
  • Average mass415.466 Da
  • Monoisotopic mass415.131439 Da
  • ChemSpider ID29394505
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Butanamide, 2-amino-N-[[3-(4-amino-2-methyl-7-quinazolinyl)phenyl]sulfonyl]-3-hydroxy-, (2S,3R)- [ACD/Index Name]
N-{[3-(4-Amino-2-methyl-7-chinazolinyl)phenyl]sulfonyl}-L-threoninamid [German] [ACD/IUPAC Name]
N-{[3-(4-Amino-2-methyl-7-quinazolinyl)phenyl]sulfonyl}-L-threoninamide [ACD/IUPAC Name]
N-{[3-(4-Amino-2-méthyl-7-quinazolinyl)phényl]sulfonyl}-L-thréoninamide [French] [ACD/IUPAC Name]
N-{[3-(4-Amino-2-Methylquinazolin-7-Yl)phenyl]sulfonyl}-L-Threoninamide
10.1021/jm301756m
X16

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 109.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 293.0±3.0 cm3

Click to predict properties on the Chemicalize site






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