ChemSpider 2D Image | 4-(1-{1-[(4-Nitrophenyl)sulfonyl]-4-piperidinyl}-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine | C20H19N7O4S

4-(1-{1-[(4-Nitrophenyl)sulfonyl]-4-piperidinyl}-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

  • Molecular FormulaC20H19N7O4S
  • Average mass453.474 Da
  • Monoisotopic mass453.121918 Da
  • ChemSpider ID127422527

More details:

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

4-(1-{1-[(4-Nitrophenyl)sulfonyl]-4-piperidinyl}-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-(1-{1-[(4-Nitrophenyl)sulfonyl]-4-piperidinyl}-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine [ACD/IUPAC Name]
4-(1-{1-[(4-Nitrophényl)sulfonyl]-4-pipéridinyl}-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine, 4-[1-[1-[(4-nitrophenyl)sulfonyl]-4-piperidinyl]-1H-pyrazol-4-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4464399/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 754.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.4±35.7 °C
Index of Refraction: 1.789
Molar Refractivity: 117.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.08
ACD/KOC (pH 5.5): 367.33
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.54
ACD/KOC (pH 7.4): 373.48
Polar Surface Area: 151 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 78.4±7.0 dyne/cm
Molar Volume: 277.8±7.0 cm3

Click to predict properties on the Chemicalize site


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