Found 16 results

Search term: MF = 'C_{41}H_{39}N_{7}O_{4}'
ChemSpider 2D Image | (2R)-2-Hydroxy-1-[(2S)-2-(5-{6-[4-(2-{(2S)-1-[(2S)-2-hydroxy-2-phenylacetyl]-2-pyrrolidinyl}-1H-imidazol-5-yl)phenyl]-3-pyridinyl}-1H-imidazol-2-yl)-1-pyrrolidinyl]-2-phenylethanone | C41H39N7O4

(2R)-2-Hydroxy-1-[(2S)-2-(5-{6-[4-(2-{(2S)-1-[(2S)-2-hydroxy-2-phenylacetyl]-2-pyrrolidinyl}-1H-imidazol-5-yl)phenyl]-3-pyridinyl}-1H-imidazol-2-yl)-1-pyrrolidinyl]-2-phenylethanone

  • Molecular FormulaC41H39N7O4
  • Average mass693.793 Da
  • Monoisotopic mass693.306335 Da
  • ChemSpider ID34550031

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R)-2-Hydroxy-1-[(2S)-2-(5-{6-[4-(2-{(2S)-1-[(2S)-2-hydroxy-2-phenylacetyl]-2-pyrrolidinyl}-1H-imidazol-5-yl)phenyl]-3-pyridinyl}-1H-imidazol-2-yl)-1-pyrrolidinyl]-2-phenylethanon [German] [ACD/IUPAC Name]
(2R)-2-Hydroxy-1-[(2S)-2-(5-{6-[4-(2-{(2S)-1-[(2S)-2-hydroxy-2-phenylacetyl]-2-pyrrolidinyl}-1H-imidazol-5-yl)phenyl]-3-pyridinyl}-1H-imidazol-2-yl)-1-pyrrolidinyl]-2-phenylethanone [ACD/IUPAC Name]
(2R)-2-Hydroxy-1-[(2S)-2-(5-{6-[4-(2-{(2S)-1-[(2S)-2-hydroxy-2-phénylacétyl]-2-pyrrolidinyl}-1H-imidazol-5-yl)phényl]-3-pyridinyl}-1H-imidazol-2-yl)-1-pyrrolidinyl]-2-phényléthanone [French] [ACD/IUPAC Name]
Ethanone, 2-hydroxy-1-[(2S)-2-[5-[6-[4-[2-[(2S)-1-[(2S)-2-hydroxy-2-phenylacetyl]-2-pyrrolidinyl]-1H-imidazol-5-yl]phenyl]-3-pyridinyl]-1H-imidazol-2-yl]-1-pyrrolidinyl]-2-phenyl-, (2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1120.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.8±3.0 kJ/mol
Flash Point: 631.6±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 194.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 88.76
ACD/KOC (pH 5.5): 573.09
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 359.94
ACD/KOC (pH 7.4): 2323.99
Polar Surface Area: 151 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 511.1±3.0 cm3

Click to predict properties on the Chemicalize site


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