ChemSpider 2D Image | 6-({2-[4-(4-Fluorobenzyl)-1-piperidinyl]ethyl}sulfinyl)-1,3-benzoxazol-2-ol | C21H23FN2O3S

6-({2-[4-(4-Fluorobenzyl)-1-piperidinyl]ethyl}sulfinyl)-1,3-benzoxazol-2-ol

  • Molecular FormulaC21H23FN2O3S
  • Average mass402.482 Da
  • Monoisotopic mass402.141327 Da
  • ChemSpider ID57642190
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Benzoxazolol, 6-[[2-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]ethyl]sulfinyl]- [ACD/Index Name]
6-({2-[4-(4-Fluorbenzyl)-1-piperidinyl]ethyl}sulfinyl)-1,3-benzoxazol-2-ol [German] [ACD/IUPAC Name]
6-({2-[4-(4-Fluorobenzyl)-1-piperidinyl]ethyl}sulfinyl)-1,3-benzoxazol-2-ol [ACD/IUPAC Name]
6-({2-[4-(4-Fluorobenzyl)-1-pipéridinyl]éthyl}sulfinyl)-1,3-benzoxazol-2-ol [French] [ACD/IUPAC Name]
253450-09-8 [RN]
357263-13-9 [RN]
452296-83-2 [RN]
619331-12-3 [RN]
859230-84-5 (BMS-505130)
Besonprodil [USAN] [Wiki]
More...

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

BMS-378806 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 621.5±63.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 329.7±33.7 °C
Index of Refraction: 1.675
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.99
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.14
Polar Surface Area: 86 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 289.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement