ChemSpider 2D Image | 3-[(3-Chloro-4-methoxyphenyl)carbamoyl]-7-(2-methoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid | C22H19ClN4O5

3-[(3-Chloro-4-methoxyphenyl)carbamoyl]-7-(2-methoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

  • Molecular FormulaC22H19ClN4O5
  • Average mass454.863 Da
  • Monoisotopic mass454.104401 Da
  • ChemSpider ID24595790

More details:






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

3-[(3-Chlor-4-methoxyphenyl)carbamoyl]-7-(2-methoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-carbonsäure [German] [ACD/IUPAC Name]
3-[(3-Chloro-4-methoxyphenyl)carbamoyl]-7-(2-methoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-[(3-chloro-4-méthoxyphényl)carbamoyl]-7-(2-méthoxyphényl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylique [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-5-carboxylic acid, 3-[[(3-chloro-4-methoxyphenyl)amino]carbonyl]-4,7-dihydro-7-(2-methoxyphenyl)- [ACD/Index Name]
1-[2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-7-(morpholin-4-ylsulfonyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
1223881-39-7 [RN]
3-((3-chloro-4-methoxyphenyl)carbamoyl)-7-(2-methoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
3-(3-Chloro-4-methoxy-phenylcarbamoyl)-7-(2-methoxy-phenyl)-4,7-dihydro-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 627.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 333.1±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 28.44
ACD/KOC (pH 5.5): 178.57
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.94
Polar Surface Area: 115 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 309.7±7.0 cm3

Click to predict properties on the Chemicalize site






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