ChemSpider 2D Image | S-{3-[(4-Anilino-6-quinazolinyl)amino]-3-oxopropyl}-L-cysteine | C20H21N5O3S

S-{3-[(4-Anilino-6-quinazolinyl)amino]-3-oxopropyl}-L-cysteine

  • Molecular FormulaC20H21N5O3S
  • Average mass411.477 Da
  • Monoisotopic mass411.136505 Da
  • ChemSpider ID25058048

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Cysteine, S-[3-oxo-3-[[4-(phenylamino)-6-quinazolinyl]amino]propyl]- [ACD/Index Name]
S-{3-[(4-Anilino-6-chinazolinyl)amino]-3-oxopropyl}-L-cystein [German] [ACD/IUPAC Name]
S-{3-[(4-Anilino-6-quinazolinyl)amino]-3-oxopropyl}-L-cysteine [ACD/IUPAC Name]
S-{3-[(4-Anilino-6-quinazolinyl)amino]-3-oxopropyl}-L-cystéine [French] [ACD/IUPAC Name]
S-{3-[(4-ANILINOQUINAZOLIN-6-YL)AMINO]-3-OXOPROPYL}-L-CYSTEINE
(2R)-2-amino-3-[(2-{[4-(phenylamino)quinazolin-6-yl]carbamoyl}ethyl)sulfanyl]propanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 728.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 394.2±32.9 °C
Index of Refraction: 1.735
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.36
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 287.8±3.0 cm3

Click to predict properties on the Chemicalize site


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