ChemSpider 2D Image | Brilacidin | C40H50F6N14O6

Brilacidin

  • Molecular FormulaC40H50F6N14O6
  • Average mass936.906 Da
  • Monoisotopic mass936.394165 Da
  • ChemSpider ID28651526
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1224095-98-0 [RN]
4,6-Pyrimidinedicarboxamide, N4,N6-bis[3-[[5-[(aminoiminomethyl)amino]-1-oxopentyl]amino]-2-[(3R)-3-pyrrolidinyloxy]-5-(trifluoromethyl)phenyl]- [ACD/Index Name]
9693
brilacidina [Spanish] [INN]
brilacidine [French] [INN]
brilacidinum [Latin] [INN]
I1679X069H
N,N'-Bis{3-[(5-carbamimidamidopentanoyl)amino]-2-[(3R)-3-pyrrolidinyloxy]-5-(trifluormethyl)phenyl}-4,6-pyrimidindicarboxamid [German] [ACD/IUPAC Name]
N,N'-Bis{3-[(5-carbamimidamidopentanoyl)amino]-2-[(3R)-3-pyrrolidinyloxy]-5-(trifluoromethyl)phenyl}-4,6-pyrimidinedicarboxamide [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

PMX30063 [DBID]
PMX-30063 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.656
Molar Refractivity: 218.8±0.5 cm3
#H bond acceptors: 20
#H bond donors: 14
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 3.70
ACD/LogD (pH 5.5): -3.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 86.8±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 595.4±7.0 cm3

Click to predict properties on the Chemicalize site





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