ChemSpider 2D Image | bb-83698 | C28H42N4O6

bb-83698

  • Molecular FormulaC28H42N4O6
  • Average mass530.656 Da
  • Monoisotopic mass530.310425 Da
  • ChemSpider ID8025638
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-N-{(2S)-1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-3,3-dimethyl-1-oxo-2-butanyl}-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanamid [German] [ACD/IUPAC Name]
(2R)-N-{(2S)-1-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-3,3-dimethyl-1-oxo-2-butanyl}-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanamide [ACD/IUPAC Name]
(2R)-N-{(2S)-1-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-3,3-diméthyl-1-oxo-2-butanyl}-3-cyclopentyl-2-{[formyl(hydroxy)amino]méthyl}propanamide [French] [ACD/IUPAC Name]
325795-25-3 [RN]
bb-83698
Cyclopentanepropanamide, N-[(1S)-1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl]-2,2-dimethylpropyl]-α-[(formylhydroxyamino)methyl]-, (αR)- [ACD/Index Name]
(2R)-N-[(1S)-1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2,2-dimethylpropyl]-2-(cyclopentylmethyl)-3-(formyl-hydroxyamino)propanamide
(2R)-N-[(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2,2-dimethyl-propyl]-2-(cyclopentylmethyl)-3-(formyl-hydroxy-amino)propanamide
(2R)-N-[(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2,2-dimethyl-propyl]-2-(cyclopentylmethyl)-3-(formyl-hydroxy-amino)propionamide
(2R)-N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(cyclopentylmethyl)-3-(formyl-hydroxyamino)propanamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

36IRV2A964 [DBID]
UNII:36IRV2A964 [DBID]
UNII-36IRV2A964 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.571
Molar Refractivity: 141.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 28.61
ACD/KOC (pH 5.5): 309.67
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 56.65
ACD/KOC (pH 7.4): 613.18
Polar Surface Area: 112 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 431.4±3.0 cm3

Click to predict properties on the Chemicalize site






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