ChemSpider 2D Image | (S)-6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methyl(7-nitro-4-benzofurazanyl)amino)benzo(a)heptalen-9(5H)-one | C27H26N4O8

(S)-6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methyl(7-nitro-4-benzofurazanyl)amino)benzo(a)heptalen-9(5H)-one

  • Molecular FormulaC27H26N4O8
  • Average mass534.517 Da
  • Monoisotopic mass534.175049 Da
  • ChemSpider ID115521
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(7S)-1,2,3,10-Tetramethoxy-7-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-6,7-dihydrobenzo[a]heptalen-9(5H)-on [German] [ACD/IUPAC Name]
(7S)-1,2,3,10-Tetramethoxy-7-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-6,7-dihydrobenzo[a]heptalen-9(5H)-one [ACD/IUPAC Name]
(7S)-1,2,3,10-Tétraméthoxy-7-[méthyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-6,7-dihydrobenzo[a]heptalén-9(5H)-one [French] [ACD/IUPAC Name]
(S)-6,7-Dihydro-1,2,3,10-tetramethoxy-7-(methyl(7-nitro-4-benzofurazanyl)amino)benzo(a)heptalen-9(5H)-one
Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methyl(7-nitro-4-benzofurazanyl)amino)-, (S)-
Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-, (7S)- [ACD/Index Name]
108964-31-4 [RN]
Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3,10-tetramethoxy-7-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-,(7S)-
N-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)colcemid
Nbd-colcemid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 812.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.4±37.1 °C
Index of Refraction: 1.662
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 356.85
ACD/KOC (pH 5.5): 2337.08
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 356.85
ACD/KOC (pH 7.4): 2337.08
Polar Surface Area: 142 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 374.3±5.0 cm3

Click to predict properties on the Chemicalize site






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