ChemSpider 2D Image | N-[5-({5-[(4-{[3-(Dimethylamino)propyl]carbamoyl}-5-isopropyl-1,3-thiazol-2-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]nicotinamide | C30H37N9O4S

N-[5-({5-[(4-{[3-(Dimethylamino)propyl]carbamoyl}-5-isopropyl-1,3-thiazol-2-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]nicotinamide

  • Molecular FormulaC30H37N9O4S
  • Average mass619.738 Da
  • Monoisotopic mass619.268921 Da
  • ChemSpider ID31104588

More details:

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

3-Pyridinecarboxamide, N-[5-[[[5-[[[4-[[[3-(dimethylamino)propyl]amino]carbonyl]-5-(1-methylethyl)-2-thiazolyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]- [ACD/Index Name]
N-[5-({5-[(4-{[3-(Dimethylamino)propyl]carbamoyl}-5-isopropyl-1,3-thiazol-2-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]nicotinamid [German] [ACD/IUPAC Name]
N-[5-({5-[(4-{[3-(Dimethylamino)propyl]carbamoyl}-5-isopropyl-1,3-thiazol-2-yl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]nicotinamide [ACD/IUPAC Name]
N-[5-({5-[(4-{[3-(Diméthylamino)propyl]carbamoyl}-5-isopropyl-1,3-thiazol-2-yl)carbamoyl]-1-méthyl-1H-pyrrol-3-yl}carbamoyl)-1-méthyl-1H-pyrrol-3-yl]nicotinamide [French] [ACD/IUPAC 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: 1.666
Molar Refractivity: 170.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 459.5±7.0 cm3

Click to predict properties on the Chemicalize site


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