Found 16 results

Search term: MF = 'C_{37}H_{49}N_{7}O_{8}'
ChemSpider 2D Image | (16S,19R)-16-[(1R)-1-Hydroxyethyl]-19-isobutyl-9-[(4-oxo-3(4H)-quinazolinyl)acetyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone | C37H49N7O8

(16S,19R)-16-[(1R)-1-Hydroxyethyl]-19-isobutyl-9-[(4-oxo-3(4H)-quinazolinyl)acetyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone

  • Molecular FormulaC37H49N7O8
  • Average mass719.827 Da
  • Monoisotopic mass719.364258 Da
  • ChemSpider ID62721988

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(16S,19R)-16-[(1R)-1-Hydroxyethyl]-19-isobutyl-9-[(4-oxo-3(4H)-chinazolinyl)acetyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-trien-4,15,18,21-tetron [German] [ACD/IUPAC Name]
(16S,19R)-16-[(1R)-1-Hydroxyethyl]-19-isobutyl-9-[(4-oxo-3(4H)-quinazolinyl)acetyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone [ACD/IUPAC Name]
(16S,19R)-16-[(1R)-1-Hydroxyéthyl]-19-isobutyl-9-[2-(4-oxo-3(4H)-quinazolinyl)acétyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triène-4,15,18,21-tétrone [French] [ACD/IUPAC Name]
2-Oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone, 16-[(1R)-1-hydroxyethyl]-19-(2-methylpropyl)-9-[2-(4-oxo-3(4H)-quinazolinyl)acetyl]-, (16S,19R)- [ACD/Index Name]
(16S,19R)-16-[(1R)-1-hydroxyethyl]-19-isobutyl-9-[(4-oxoquinazolin-3(4H)-yl)acetyl]-2-oxa-5,9,14,17,20-pentaazabicyclo[21.3.1]heptacosa-1(27),23,25-triene-4,15,18,21-tetrone

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: 1.629
Molar Refractivity: 192.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -1.00
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.18
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.18
Polar Surface Area: 199 Å2
Polarizability: 76.5±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 542.4±7.0 cm3

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