ChemSpider 2D Image | 4-[4-(3-Cyclopentylpropyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]benzenesulfonamide | C30H37N7O4S

4-[4-(3-Cyclopentylpropyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]benzenesulfonamide

  • Molecular FormulaC30H37N7O4S
  • Average mass591.724 Da
  • Monoisotopic mass591.262756 Da
  • ChemSpider ID8048946

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

173901-95-6 [RN]
4-[4-(3-Cyclopentylpropyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]benzenesulfonamide [ACD/IUPAC Name]
4-[4-(3-Cyclopentylpropyl)-5-oxo-4,5-dihydro-1H-tétrazol-1-yl]-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)éthyl]amino}éthyl)phényl]benzènesulfonamide [French] [ACD/IUPAC Name]
4-[4-(3-Cyclopentylpropyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]-N-[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)phenyl]benzolsulfonamid [German] [ACD/IUPAC Name]
4-[4-(3-cyclopentylpropyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl]-N-[4-(2-{[(2R)-2-hydroxy-2-(pyridin-3-yl)ethyl]amino}ethyl)phenyl]benzenesulfonamide
Benzenesulfonamide, 4-[4-(3-cyclopentylpropyl)-4,5-dihydro-5-oxo-1H-tetrazol-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]- [ACD/Index Name]
4-[4-(3-Cyclopentyl-propyl)-5-oxo-4,5-dihydro-tetrazol-1-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
4-[4-(3-cyclopentylpropyl)-5-oxotetrazol-1-yl]-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide
Benzenesulfonamide, 4-(4-(3-cyclopentylpropyl)-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)-N-(4-(2-(((2R)-2-hydroxy-2-(3-pyridinyl)ethyl)amino)ethyl)phenyl)-
CHEMBL22375
More...

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

5DZ9YI6UZ5 [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: 755.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 410.4±35.7 °C
Index of Refraction: 1.677
Molar Refractivity: 162.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.62
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 8.22
ACD/KOC (pH 7.4): 74.71
Polar Surface Area: 148 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 432.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement