Found 1 result

Search term: XFNBBSJRWLSLFP-NWJWHWDBSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1H-imidazol-2-yl)benzamide] | C41H40N8O5

3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1H-imidazol-2-yl)benzamide]

  • Molecular FormulaC41H40N8O5
  • Average mass724.807 Da
  • Monoisotopic mass724.312195 Da
  • ChemSpider ID408599

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1,3-diyl]dimethylen}bis[N-(1H-imidazol-2-yl)benzamid] [German] [ACD/IUPAC Name]
3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis[N-(1H-imidazol-2-yl)benzamide] [ACD/IUPAC Name]
3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazépane-1,3-diyl]diméthylène}bis[N-(1H-imidazol-2-yl)benzamide] [French] [ACD/IUPAC Name]
Benzamide, 3,3'-[[(4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-1H-imidazol-2-yl- [ACD/Index Name]
[4R-(4α,5α,6β,7β)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]-bis(methylene)]bis[N-2-thiazolylbenzamide]
2-{3-[4,7-dibenzyl-5,6-dihydroxy-3-[3-(1H-2-imidazolylcarbamoyl)benzyl]-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]phenylcarboxamido}-1H-imidazole
3-(4,7-Dibenzyl-5,6-dihydroxy-2-oxo-[1,3]diazepan-1-ylmethyl)-bis-(N-(1H-imidazol-2-yl)-benzamide)
4,7-Dibenzyl-5,6-dihydroxy-1,3-bis-[3-(1H-Imidazol-2yl-benzamide)methyl]-[1,3]diazepan-2-one(XV652)
Cyclic Urea
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL291677/

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

AIDS043318 [DBID]
AIDS-043318 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.732
Molar Refractivity: 204.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 56.82
ACD/KOC (pH 5.5): 301.63
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 717.26
ACD/KOC (pH 7.4): 3807.33
Polar Surface Area: 180 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 83.7±3.0 dyne/cm
Molar Volume: 510.8±3.0 cm3

Click to predict properties on the Chemicalize site


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