ChemSpider 2D Image | N-({1-[(4-Chlorophenyl)acetyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-2-propanesulfonamide | C20H26ClN5O4S

N-({1-[(4-Chlorophenyl)acetyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-2-propanesulfonamide

  • Molecular FormulaC20H26ClN5O4S
  • Average mass467.970 Da
  • Monoisotopic mass467.139404 Da
  • ChemSpider ID84444516

More details:

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

2-Propanesulfonamide, N-[[1-[2-(4-chlorophenyl)acetyl]spiro[pyrrolidine-3,6'(7'H)-[4H][1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl]- [ACD/Index Name]
N-({1-[(4-Chlorophenyl)acetyl]-4'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)-2-propanesulfonamide [ACD/IUPAC Name]
N-({1-[(4-CHLOROPHENYL)ACETYL]-4'H-SPIRO[PYRROLIDINE-3,6'-[1,2,3]TRIAZOLO[5,1-C][1,4]OXAZIN]-3'-YL}METHYL)PROPANE-2-SULFONAMIDE
N-[[1'-[2-(4-chlorophenyl)acetyl]spiro[4,7-dihydrotriazolo[5,1-c][1,4]oxazine-6,3'-pyrrolidine]-3-yl]methyl]propane-2-sulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 719.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.8±35.7 °C
Index of Refraction: 1.681
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.28
ACD/KOC (pH 5.5): 245.04
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.87
ACD/KOC (pH 7.4): 238.38
Polar Surface Area: 115 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 313.0±7.0 cm3

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