ChemSpider 2D Image | N~2~-[(4-Chlorophenyl)sulfonyl]-N-[2-(isopropylamino)-5-methyl-4-oxo-4H-3,1-benzoxazin-7-yl]-L-alpha-glutamine | C23H25ClN4O7S

N2-[(4-Chlorophenyl)sulfonyl]-N-[2-(isopropylamino)-5-methyl-4-oxo-4H-3,1-benzoxazin-7-yl]-L-α-glutamine

  • Molecular FormulaC23H25ClN4O7S
  • Average mass536.985 Da
  • Monoisotopic mass536.113220 Da
  • ChemSpider ID166923
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

N2-[(4-Chlorophenyl)sulfonyl]-N-[2-(isopropylamino)-5-methyl-4-oxo-4H-3,1-benzoxazin-7-yl]-L-α-glutamine [ACD/IUPAC Name]
N2-[(4-Chlorophényl)sulfonyl]-N-[2-(isopropylamino)-5-méthyl-4-oxo-4H-3,1-benzoxazin-7-yl]-L-α-glutamine [French] [ACD/IUPAC Name]
N2-[(4-Chlorphenyl)sulfonyl]-N-[2-(isopropylamino)-5-methyl-4-oxo-4H-3,1-benzoxazin-7-yl]-L-α-glutamin [German] [ACD/IUPAC Name]
(S)-4-(4-Chlorophenylsulfonamido)-5-((2-(isopropylamino)-5-methyl-4-oxo-4H-benzo[d][1,3]oxazin-7-yl)amino)-5-oxopentanoic acid
138006-80-1 [RN]
7-(4-Chlorophenylsulfonyl-L-glutamyl)amino-5-methyl-2-isopropylamino-4H-3,1-benzoxazin-4-one
Pentanoic acid, 4-(((4-chlorophenyl)sulfonyl)amino)-5-((5-methyl-2-((1-methylethyl)amino)-4-oxo-4H-3,1-benzoxazin-7-yl)amino)-5-oxo-, (S)-

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

Tei 5624 [DBID]
Tei-5624 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 131.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 5.89
ACD/KOC (pH 5.5): 56.28
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 358.2±7.0 cm3

Click to predict properties on the Chemicalize site