Found 16 results

Search term: MF = 'C_{37}H_{49}N_{7}O_{8}'
ChemSpider 2D Image | (9S,12S)-12-Benzyl-6-[(1R)-1-hydroxyethyl]-1'-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-9-methyl-4H,7H,10H,13H-spiro[2,17-dioxa-5,8,11,14-tetraazabicyclo[16.2.2]docosa-1(20),18,21-triene-3,4'-piperidi ne]-4,7,10,13-tetrone | C37H49N7O8

(9S,12S)-12-Benzyl-6-[(1R)-1-hydroxyethyl]-1'-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-9-methyl-4H,7H,10H,13H-spiro[2,17-dioxa-5,8,11,14-tetraazabicyclo[16.2.2]docosa-1(20),18,21-triene-3,4'-piperidi ne]-4,7,10,13-tetrone

  • Molecular FormulaC37H49N7O8
  • Average mass719.827 Da
  • Monoisotopic mass719.364258 Da
  • ChemSpider ID71269942

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(9S,12S)-12-Benzyl-6-[(1R)-1-hydroxyethyl]-1'-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-9-methyl-4H,7H,10H,13H-spiro[2,17-dioxa-5,8,11,14-tetraazabicyclo[16.2.2]docosa-1(20),18,21-triene-3,4'-piperidi ne]-4,7,10,13-tetrone [ACD/IUPAC Name]
Spiro[2,17-dioxa-5,8,11,14-tetraazabicyclo[16.2.2]docosa-18,20,21-triene-3,4'-piperidine]-4,7,10,13-tetrone, 6-[(1R)-1-hydroxyethyl]-9-methyl-1'-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-12-(p henylmethyl)-, (9S,12S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 190.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 53.17
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.69
ACD/KOC (pH 7.4): 104.73
Polar Surface Area: 197 Å2
Polarizability: 75.5±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 546.7±5.0 cm3

Click to predict properties on the Chemicalize site


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