ChemSpider 2D Image | N-{5-[(2-{[4-(9-Acridinylamino)phenyl]amino}-2-oxoethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-amino-1-methyl-1H-pyrrole-2-carboxamide | C33H30N8O3

N-{5-[(2-{[4-(9-Acridinylamino)phenyl]amino}-2-oxoethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-amino-1-methyl-1H-pyrrole-2-carboxamide

  • Molecular FormulaC33H30N8O3
  • Average mass586.643 Da
  • Monoisotopic mass586.244080 Da
  • ChemSpider ID114648

More details:






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

1H-Pyrrole-2-carboxamide, N-[5-[[[2-[[4-(9-acridinylamino)phenyl]amino]-2-oxoethyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-amino-1-methyl- [ACD/Index Name]
N-{5-[(2-{[4-(9-Acridinylamino)phenyl]amino}-2-oxoethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-amino-1-methyl-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-{5-[(2-{[4-(9-Acridinylamino)phenyl]amino}-2-oxoethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-amino-1-methyl-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-{5-[(2-{[4-(9-Acridinylamino)phényl]amino}-2-oxoéthyl)carbamoyl]-1-méthyl-1H-pyrrol-3-yl}-4-amino-1-méthyl-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
N-{5-[(2-{[4-(Acridin-9-ylamino)phenyl]amino}-2-oxoethyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}-4-amino-1-methyl-1H-pyrrole-2-carboxamide
121613-16-9 [RN]
1H-Pyrrole-2-Carboxamide, N-(5-(((2-((4-(9-acridinylamino)phenyl)amino)-2-oxoethyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)-4-amino-1-methyl-
4-(9-acridinylamino)-N-(4-(((4-amino-1-methylpyrrol-2-yl)carbonyl)amino)-1-methylpyrrol-2-carbonyl)glycylaniline
Net GA
NETGA
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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: 854.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 470.8±34.3 °C
Index of Refraction: 1.716
Molar Refractivity: 166.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.16
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 5.16
ACD/KOC (pH 7.4): 63.04
Polar Surface Area: 148 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 423.6±7.0 cm3

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