ChemSpider 2D Image | (S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE | C28H35N7O3S

(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE

  • Molecular FormulaC28H35N7O3S
  • Average mass549.688 Da
  • Monoisotopic mass549.252197 Da
  • ChemSpider ID5254662

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-3-OXOPROPYL)BENZIMIDAMIDE
3-{(2S)-3-[4-(2-Carbamimidamidoethyl)-1-piperidinyl]-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide [ACD/IUPAC Name]
3-{(2S)-3-[4-(2-Carbamimidamidoethyl)-1-piperidinyl]-2-[(2-naphthylsulfonyl)amino]-3-oxopropyl}benzolcarboximidamid [German] [ACD/IUPAC Name]
3-{(2S)-3-[4-(2-Carbamimidamidoéthyl)-1-pipéridinyl]-2-[(2-naphtylsulfonyl)amino]-3-oxopropyl}benzènecarboximidamide [French] [ACD/IUPAC Name]
3-{(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}benzenecarboximidamide
Benzenecarboximidamide, 3-[(2S)-3-[4-[2-[(aminoiminomethyl)amino]ethyl]-1-piperidinyl]-2-[(2-naphthalenylsulfonyl)amino]-3-oxopropyl]- [ACD/Index Name]
2-nas-phe(3-am)-4-(2-guanidinoethyl)piperidine

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

730 [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: 802.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 438.9±37.1 °C
Index of Refraction: 1.686
Molar Refractivity: 149.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 393.5±7.0 cm3

Click to predict properties on the Chemicalize site


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