ChemSpider 2D Image | (2S)-N-{(2S,3R)-3-Hydroxy-4-[(3-isopropylbenzyl)amino]-1-phenyl-2-butanyl}-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide | C33H48N4O3

(2S)-N-{(2S,3R)-3-Hydroxy-4-[(3-isopropylbenzyl)amino]-1-phenyl-2-butanyl}-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide

  • Molecular FormulaC33H48N4O3
  • Average mass548.759 Da
  • Monoisotopic mass548.372620 Da
  • ChemSpider ID28511262
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2s)-N-[(2s,3r)-3-Hydroxy-1-Phenyl-4-{[3-(Propan-2-Yl)benzyl]amino}butan-2-Yl]-2-[(5s)-6-Oxo-1-Propyl-1,7-Diazaspiro[4.4]non-7-Yl]propanamide
(2S)-N-{(2S,3R)-3-Hydroxy-4-[(3-isopropylbenzyl)amino]-1-phenyl-2-butanyl}-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamid [German] [ACD/IUPAC Name]
(2S)-N-{(2S,3R)-3-Hydroxy-4-[(3-isopropylbenzyl)amino]-1-phenyl-2-butanyl}-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide [ACD/IUPAC Name]
(2S)-N-{(2S,3R)-3-Hydroxy-4-[(3-isopropylbenzyl)amino]-1-phényl-2-butanyl}-2-[(5S)-6-oxo-1-propyl-1,7-diazaspiro[4.4]non-7-yl]propanamide [French] [ACD/IUPAC Name]
1,7-Diazaspiro[4.4]nonane-7-acetamide, N-[(1S,2R)-2-hydroxy-3-[[[3-(1-methylethyl)phenyl]methyl]amino]-1-(phenylmethyl)propyl]-α-methyl-6-oxo-1-propyl-, (αS,5S)- [ACD/Index Name]
0GO

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 758.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 412.3±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 161.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 5.83
ACD/KOC (pH 7.4): 34.14
Polar Surface Area: 85 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 474.4±5.0 cm3

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