Found 5 results

Search term: MF = 'C_{38}H_{54}N_{6}O'
ChemSpider 2D Image | 2-{3-[(2S,5R)-1-[(2R)-2-Amino-3-(2,4-dimethylphenyl)propyl]-5-(cyclohexylmethyl)-4-(2-naphthylacetyl)-2-piperazinyl]propyl}guanidine | C38H54N6O

2-{3-[(2S,5R)-1-[(2R)-2-Amino-3-(2,4-dimethylphenyl)propyl]-5-(cyclohexylmethyl)-4-(2-naphthylacetyl)-2-piperazinyl]propyl}guanidine

  • Molecular FormulaC38H54N6O
  • Average mass610.875 Da
  • Monoisotopic mass610.435913 Da
  • ChemSpider ID10173466

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-(3-{(2S,5R)-1-[(2R)-2-Amino-3-(2,4-diméthylphényl)propyl]-5-(cyclohexylméthyl)-4-[2-(2-naphtyl)acétyl]-2-pipérazinyl}propyl)guanidine [French] [ACD/IUPAC Name]
2-{3-[(2S,5R)-1-[(2R)-2-Amino-3-(2,4-dimethylphenyl)propyl]-5-(cyclohexylmethyl)-4-(2-naphthylacetyl)-2-piperazinyl]propyl}guanidin [German] [ACD/IUPAC Name]
2-{3-[(2S,5R)-1-[(2R)-2-Amino-3-(2,4-dimethylphenyl)propyl]-5-(cyclohexylmethyl)-4-(2-naphthylacetyl)-2-piperazinyl]propyl}guanidine [ACD/IUPAC Name]
Guanidine, N''-[3-[(2S,5R)-1-[(2R)-2-amino-3-(2,4-dimethylphenyl)propyl]-5-(cyclohexylmethyl)-4-[2-(2-naphthalenyl)acetyl]-2-piperazinyl]propyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 813.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.7±37.1 °C
Index of Refraction: 1.629
Molar Refractivity: 182.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 3.84
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 10.70
ACD/KOC (pH 7.4): 20.40
Polar Surface Area: 114 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 512.7±7.0 cm3

Click to predict properties on the Chemicalize site


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