ChemSpider 2D Image | (S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE | C36H54N8O4S

(S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE

  • Molecular FormulaC36H54N8O4S
  • Average mass694.930 Da
  • Monoisotopic mass694.398865 Da
  • ChemSpider ID5254663

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE
1-Piperidinecarboximidamide, 4-[[4-[(2S)-3-[3-(aminoiminomethyl)phenyl]-1-oxo-2-[[[2,4,6-tris(1-methylethyl)phenyl]sulfonyl]amino]propyl]-1-piperazinyl]carbonyl]- [ACD/Index Name]
4-({4-[(2S)-3-(3-carbamimidoylphenyl)-2-({[2,4,6-tri(propan-2-yl)phenyl]sulfonyl}amino)propanoyl]piperazin-1-yl}carbonyl)piperidine-1-carboximidamide
4-({4-[(2S)-3-(3-Carbamimidoylphenyl)-2-{[(2,4,6-triisopropylphenyl)sulfonyl]amino}propanoyl]-1-piperazinyl}carbonyl)-1-piperidincarboximidamid [German] [ACD/IUPAC Name]
4-({4-[(2S)-3-(3-Carbamimidoylphenyl)-2-{[(2,4,6-triisopropylphenyl)sulfonyl]amino}propanoyl]-1-piperazinyl}carbonyl)-1-piperidinecarboximidamide [ACD/IUPAC Name]
4-({4-[(2S)-3-(3-Carbamimidoylphényl)-2-{[(2,4,6-triisopropylphényl)sulfonyl]amino}propanoyl]-1-pipérazinyl}carbonyl)-1-pipéridinecarboximidamide [French] [ACD/IUPAC Name]
4-{4-[(S)-3-(3-carbamimidoyl-phenyl)-2-(2,4,6-triisopropyl-benzenesulfonylamino)-propionyl]-piperazine-1-carbonyl}-piperidine-1-carboxamidine

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

672 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 852.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 469.1±37.1 °C
Index of Refraction: 1.640
Molar Refractivity: 191.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.20
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 530.4±7.0 cm3

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