ChemSpider 2D Image | N-[5-Carbamimidamido-1-(4-ethyl-1-piperidinyl)-1-oxo-2-pentanyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide | C22H35N5O5S

N-[5-Carbamimidamido-1-(4-ethyl-1-piperidinyl)-1-oxo-2-pentanyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

  • Molecular FormulaC22H35N5O5S
  • Average mass481.609 Da
  • Monoisotopic mass481.235901 Da
  • ChemSpider ID23237356

More details:

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

2H-1,5-Benzodioxepin-7-sulfonamide, N-[4-[(aminoiminomethyl)amino]-1-[(4-ethyl-1-piperidinyl)carbonyl]butyl]-3,4-dihydro- [ACD/Index Name]
N-[5-Carbamimidamido-1-(4-ethyl-1-piperidinyl)-1-oxo-2-pentanyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamid [German] [ACD/IUPAC Name]
N-[5-Carbamimidamido-1-(4-ethyl-1-piperidinyl)-1-oxo-2-pentanyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide [ACD/IUPAC Name]
N-[5-Carbamimidamido-1-(4-éthyl-1-pipéridinyl)-1-oxo-2-pentanyl]-3,4-dihydro-2H-1,5-benzodioxépine-7-sulfonamide [French] [ACD/IUPAC Name]
N-{5-[(diaminomethylidene)amino]-1-(4-ethylpiperidin-1-yl)-1-oxopentan-2-yl}-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
2-(5-Dimethylamino-naphthalene-1-sulfonylamino)-5-guanidino-pentanoic acid 4-methoxy-benzylamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 706.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 381.1±35.7 °C
Index of Refraction: 1.636
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.52
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.53
Polar Surface Area: 158 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 344.3±7.0 cm3

Click to predict properties on the Chemicalize site


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