ChemSpider 2D Image | 3-(1H-Indazol-5-ylamino)-4-[(4-methoxybenzyl)amino]-3-cyclobutene-1,2-dione | C19H16N4O3

3-(1H-Indazol-5-ylamino)-4-[(4-methoxybenzyl)amino]-3-cyclobutene-1,2-dione

  • Molecular FormulaC19H16N4O3
  • Average mass348.355 Da
  • Monoisotopic mass348.122253 Da
  • ChemSpider ID24808858

More details:

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

3-(1H-Indazol-5-ylamino)-4-[(4-methoxybenzyl)amino]-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-(1H-Indazol-5-ylamino)-4-[(4-methoxybenzyl)amino]-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-(1H-Indazol-5-ylamino)-4-[(4-méthoxybenzyl)amino]-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-(1H-indazol-5-ylamino)-4-[[(4-methoxyphenyl)methyl]amino]- [ACD/Index Name]
Kinome_1332

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

Density: 1.4±0.1 g/cm3
Boiling Point: 592.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.3±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.46
ACD/KOC (pH 5.5): 223.72
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.46
ACD/KOC (pH 7.4): 223.74
Polar Surface Area: 96 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 74.7±5.0 dyne/cm
Molar Volume: 243.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement