Found 301 results

Search term: MF = 'C_{29}H_{30}ClN_{5}O_{4}'
ChemSpider 2D Image | 9-{3-[(4-Chloro-1H-pyrazol-1-yl)methyl]-4-methoxybenzyl}-6-methyl-6,7,8,9,10,11-hexahydro-5H-pyrido[3,2-i][1,11,4,7]benzodioxadiazacyclotridecin-5-one | C29H30ClN5O4

9-{3-[(4-Chloro-1H-pyrazol-1-yl)methyl]-4-methoxybenzyl}-6-methyl-6,7,8,9,10,11-hexahydro-5H-pyrido[3,2-i][1,11,4,7]benzodioxadiazacyclotridecin-5-one

  • Molecular FormulaC29H30ClN5O4
  • Average mass548.033 Da
  • Monoisotopic mass547.198608 Da
  • ChemSpider ID77199309

More details:

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

5H-Pyrido[3,2-i][1,11,4,7]benzodioxadiazacyclotridecin-5-one, 9-[[3-[(4-chloro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methyl]-6,7,8,9,10,11-hexahydro-6-methyl- [ACD/Index Name]
9-{3-[(4-Chlor-1H-pyrazol-1-yl)methyl]-4-methoxybenzyl}-6-methyl-6,7,8,9,10,11-hexahydro-5H-pyrido[3,2-i][1,11,4,7]benzodioxadiazacyclotridecin-5-on [German] [ACD/IUPAC Name]
9-{3-[(4-Chloro-1H-pyrazol-1-yl)methyl]-4-methoxybenzyl}-6-methyl-6,7,8,9,10,11-hexahydro-5H-pyrido[3,2-i][1,11,4,7]benzodioxadiazacyclotridecin-5-one [ACD/IUPAC Name]
9-{3-[(4-Chloro-1H-pyrazol-1-yl)méthyl]-4-méthoxybenzyl}-6-méthyl-6,7,8,9,10,11-hexahydro-5H-pyrido[3,2-i][1,11,4,7]benzodioxadiazacyclotridécin-5-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 722.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.5±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.49
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 20.85
ACD/KOC (pH 7.4): 169.59
Polar Surface Area: 82 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 422.2±7.0 cm3

Click to predict properties on the Chemicalize site


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