Found 36 results

Search term: MF = 'C_{25}H_{23}ClN_{4}O_{5}S_{2}'
ChemSpider 2D Image | Benzyl 4-{[2-chloro-5-(4-morpholinylsulfonyl)phenyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxylate | C25H23ClN4O5S2

Benzyl 4-{[2-chloro-5-(4-morpholinylsulfonyl)phenyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC25H23ClN4O5S2
  • Average mass559.057 Da
  • Monoisotopic mass558.079834 Da
  • ChemSpider ID27294364

More details:

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

4-{[2-Chloro-5-(4-morpholinylsulfonyl)phényl]amino}-5-méthylthiéno[2,3-d]pyrimidine-6-carboxylate de benzyle [French] [ACD/IUPAC Name]
Benzyl 4-{[2-chloro-5-(4-morpholinylsulfonyl)phenyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Benzyl-4-{[2-chlor-5-(4-morpholinylsulfonyl)phenyl]amino}-5-methylthieno[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 4-[[2-chloro-5-(4-morpholinylsulfonyl)phenyl]amino]-5-methyl-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 728.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.4±35.7 °C
Index of Refraction: 1.677
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3800.93
ACD/KOC (pH 5.5): 12187.55
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4394.68
ACD/KOC (pH 7.4): 14091.41
Polar Surface Area: 147 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 69.9±3.0 dyne/cm
Molar Volume: 378.7±3.0 cm3

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