ChemSpider 2D Image | (2S)-2-(2-Fluorobenzyl)-3-(2'-fluoro-4',5'-dihydro-1H-spiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-yl)-N-(~11~C)methylpropanamide | C2111CH26F2N2O2S

(2S)-2-(2-Fluorobenzyl)-3-(2'-fluoro-4',5'-dihydro-1H-spiro[piperidine-4,7'-thieno[2,3-c]pyran]-1-yl)-N-(11C)methylpropanamide

  • Molecular FormulaC2111CH26F2N2O2S
  • Average mass419.517 Da
  • Monoisotopic mass419.179749 Da
  • ChemSpider ID28649968

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

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-(11C)methylpropanamide [ACD/IUPAC Name]
1283095-76-0 [RN]
Spiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]-1-propanamide, 2'-fluoro-α-[(2-fluorophenyl)methyl]-4',5'-dihydro-N-(methyl-11C)-, (αS)- [ACD/Index Name]
NOP-1A C-11

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

5I84488N5B [DBID]
UNII:5I84488N5B [DBID]
UNII-5I84488N5B [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
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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