Found 166 results

Search term: MF = 'C_{34}H_{34}N_{4}O_{4}'

ChemSpider 2D Image | (4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxybenzyl)-3-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one | C34H34N4O4

(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxybenzyl)-3-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one

  • Molecular FormulaC34H34N4O4
  • Average mass562.658 Da
  • Monoisotopic mass562.257996 Da
  • ChemSpider ID450019
  • 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-hydroxybenzyl)-3-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-on [German] [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxybenzyl)-3-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one [ACD/IUPAC Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxybenzyl)-3-(1H-indazol-5-ylméthyl)-1,3-diazépan-2-one [French] [ACD/IUPAC Name]
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-1-[(3-hydroxyphenyl)methyl]-3-(1H-indazol-5-ylmethyl)-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)- [ACD/Index Name]
(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-1-(3-hydroxy-benzyl)-3-(1H-indazol-5-ylmethyl)-[1,3]diazepan-2-one
Cyclic Urea

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

AIDS192458 [DBID]
AIDS-192458 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 826.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.9±3.0 kJ/mol
Flash Point: 453.7±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 162.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2549.82
ACD/KOC (pH 5.5): 9548.97
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2541.27
ACD/KOC (pH 7.4): 9516.96
Polar Surface Area: 113 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 74.6±3.0 dyne/cm
Molar Volume: 414.1±3.0 cm3

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