ChemSpider 2D Image | Anatibant | C34H36Cl2N6O5S

Anatibant

  • Molecular FormulaC34H36Cl2N6O5S
  • Average mass711.658 Da
  • Monoisotopic mass710.184509 Da
  • ChemSpider ID8007384

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N-(3-(4-Carbamimidoylbenzamido)propyl)-1-(2,4-dichloro-3-((2,4-dimethyl-8-quinolyloxy)methyl)phenylsulfonyl)pyrrolidine-2-carboxamide
209733-45-9 [RN]
2-Pyrrolidinecarboxamide, N-[3-[[4-(aminoiminomethyl)benzoyl]amino]propyl]-1-[[2,4-dichloro-3-[[(2,4-dimethyl-8-quinolinyl)oxy]methyl]phenyl]sulfonyl]-, (2S)- [ACD/Index Name]
Anatibant [INN]
CLO4JRD21F
N-{3-[(4-Carbamimidoylbenzoyl)amino]propyl}-1-[(2,4-dichlor-3-{[(2,4-dimethyl-8-chinolinyl)oxy]methyl}phenyl)sulfonyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-{3-[(4-Carbamimidoylbenzoyl)amino]propyl}-1-[(2,4-dichloro-3-{[(2,4-diméthyl-8-quinoléinyl)oxy]méthyl}phényl)sulfonyl]-L-prolinamide [French] [ACD/IUPAC Name]
N-{3-[(4-Carbamimidoylbenzoyl)amino]propyl}-1-[(2,4-dichloro-3-{[(2,4-dimethyl-8-quinolinyl)oxy]methyl}phenyl)sulfonyl]-L-prolinamide [ACD/IUPAC Name]
(2S)-N-[3-[(4-amidinobenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide
(2S)-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonyl-pyrrolidine-2-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8321 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 185.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 5.82
ACD/KOC (pH 5.5): 32.32
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 6.60
ACD/KOC (pH 7.4): 36.63
Polar Surface Area: 176 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 492.7±7.0 cm3

Click to predict properties on the Chemicalize site


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