ChemSpider 2D Image | NOP-1A | C22H26F2N2O2S

NOP-1A

  • Molecular FormulaC22H26F2N2O2S
  • Average mass420.516 Da
  • Monoisotopic mass420.168304 Da
  • ChemSpider ID28525910
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-(2-Fluorobenzyl)-3-(2'-fluoro-4',5'-dihydro-1H-spiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-yl)-N-methylpropanamide [ACD/IUPAC Name]
1283095-70-4 [RN]
DQY244459T
NOP-1A
Spiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]-1-propanamide, 2'-fluoro-α-[(2-fluorophenyl)methyl]-4',5'-dihydro-N-methyl-, (αS)- [ACD/Index Name]
UNII:DQY244459T
UNII-DQY244459T

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 621.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.5±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 5.14
ACD/KOC (pH 5.5): 22.30
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 260.66
ACD/KOC (pH 7.4): 1132.11
Polar Surface Area: 70 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 325.1±5.0 cm3

Click to predict properties on the Chemicalize site






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