ChemSpider 2D Image | CH5138303 | C19H18ClN5O2S

CH5138303

  • Molecular FormulaC19H18ClN5O2S
  • Average mass415.897 Da
  • Monoisotopic mass415.086975 Da
  • ChemSpider ID31042601

More details:

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

4-{[4-Amino-6-(5-chlor-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamid [German] [ACD/IUPAC Name]
4-{[4-Amino-6-(5-chloro-1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide [ACD/IUPAC Name]
4-{[4-Amino-6-(5-chloro-1H,3H-benzo[de]isochromén-6-yl)-1,3,5-triazin-2-yl]sulfanyl}butanamide [French] [ACD/IUPAC Name]
959763-06-5 [RN]
Butanamide, 4-[[4-amino-6-(5-chloro-1H,3H-naphtho[1,8-cd]pyran-6-yl)-1,3,5-triazin-2-yl]thio]- [ACD/Index Name]
CH5138303
[959763-06-5] [RN]
4-((4-Amino-6-(5-chloro-1,3-dihydrobenzo[DE]isochromen-6-yl)-1,3,5-triazin-2-yl)thio)butanamide
4-[[4-amino-6-(5-chloro-1H,3H-naphtho[1,8-cd]pyran-6-yl)-1,3,5-triazin-2-yl]thio]-butanamide
MFCD28099815

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

Density: 1.5±0.1 g/cm3
Boiling Point: 813.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.6±37.1 °C
Index of Refraction: 1.734
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.60
ACD/KOC (pH 5.5): 527.32
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.64
ACD/KOC (pH 7.4): 527.80
Polar Surface Area: 142 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 90.4±5.0 dyne/cm
Molar Volume: 274.8±5.0 cm3

Click to predict properties on the Chemicalize site


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