Found 1903 results

Search term: MF = 'C_{29}H_{37}N_{3}O_{6}'
ChemSpider 2D Image | 2-({6-[(1E)-N-(Adamantan-1-ylacetyl)ethanehydrazonoyl]-1,3-benzodioxol-5-yl}carbamoyl)cyclohexanecarboxylic acid | C29H37N3O6

2-({6-[(1E)-N-(Adamantan-1-ylacetyl)ethanehydrazonoyl]-1,3-benzodioxol-5-yl}carbamoyl)cyclohexanecarboxylic acid

  • Molecular FormulaC29H37N3O6
  • Average mass523.621 Da
  • Monoisotopic mass523.268250 Da
  • ChemSpider ID12715228

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({6-[(1E)-N-(Adamantan-1-ylacetyl)ethanehydrazonoyl]-1,3-benzodioxol-5-yl}carbamoyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
2-({6-[(1E)-N-(Adamantan-1-ylacetyl)ethanehydrazonoyl]-1,3-benzodioxol-5-yl}carbamoyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 2-[(6-{(1E)-N-[2-(adamantan-1-yl)acétyl]ethanehydrazonoyl}-1,3-benzodioxol-5-yl)carbamoyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-acetic acid, α-[2-[(1E)-1-[6-[[(2-carboxycyclohexyl)carbonyl]amino]-1,3-benzodioxol-5-yl]ethylidene]hydrazide] [ACD/Index Name]
2-(6-{1-[(2-Adamantan-1-yl-acetyl)-hydrazono]-ethyl}-benzo[1,3]dioxol-5-ylcarbamoyl)-cyclohexanecarboxylic acid
2-(N-{6-[(1E)-2-(2-adamantanylacetylamino)-1-methyl-2-azavinyl]-2H-benzo[d]1,3-dioxolen-5-yl}carbamoyl)cyclohexanecarboxylic acid
2-[(6-{(1E)-1-[2-(tricyclo[3.3.1.13,7]dec-1-ylacetyl)hydrazinylidene]ethyl}-1,3-benzodioxol-5-yl)carbamoyl]cyclohexanecarboxylic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.713
Molar Refractivity: 136.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 97.59
ACD/KOC (pH 5.5): 423.67
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 6.85
Polar Surface Area: 126 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 348.4±7.0 cm3

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