Found 1 result

Search term: CGMCFNCFANOICN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxybenzyl)-1,3-diazepan-2-ylidene]cyanamide | C34H34N4O4

[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxybenzyl)-1,3-diazepan-2-ylidene]cyanamide

  • Molecular FormulaC34H34N4O4
  • Average mass562.658 Da
  • Monoisotopic mass562.257996 Da
  • ChemSpider ID412294

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxybenzyl)-1,3-diazepan-2-yliden]cyanamid [German] [ACD/IUPAC Name]
[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxybenzyl)-1,3-diazepan-2-ylidene]cyanamide [ACD/IUPAC Name]
[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxybenzyl)-1,3-diazépan-2-ylidène]cyanamide [French] [ACD/IUPAC Name]
Cyanamide, N-[(4R,5S,6S,7R)-hexahydro-5,6-dihydroxy-1,3-bis[(3-hydroxyphenyl)methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-ylidene]- [ACD/Index Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis-(3-hydroxy-benzyl)-[1,3]diazepan-2-ylidene-cyanamide
[4R-(4α,5α,6β,7β)]-Hexahydro-5,6-dihydroxy-1,3-bis[(3-hydroxyphenyl)methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-ylidene]cyanamide
CNG
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL287112/
Q8251

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

AIDS059648 [DBID]
AIDS-059648 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 780.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 425.9±35.7 °C
Index of Refraction: 1.646
Molar Refractivity: 162.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 575.53
ACD/KOC (pH 5.5): 3290.44
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 572.70
ACD/KOC (pH 7.4): 3274.22
Polar Surface Area: 124 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 448.6±7.0 cm3

Click to predict properties on the Chemicalize site


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