ChemSpider 2D Image | 1-(4-{4-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-1,3-thiazol-2-yl}-1-piperidinyl)-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone | C33H39N5O5S

1-(4-{4-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-1,3-thiazol-2-yl}-1-piperidinyl)-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone

  • Molecular FormulaC33H39N5O5S
  • Average mass617.758 Da
  • Monoisotopic mass617.267212 Da
  • ChemSpider ID3590725

More details:

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

1-(4-{4-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-1,3-thiazol-2-yl}-1-piperidinyl)-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-1-propanon [German] [ACD/IUPAC Name]
1-(4-{4-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]-1,3-thiazol-2-yl}-1-piperidinyl)-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-1-propanone [ACD/IUPAC Name]
1-(4-{4-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]-1,3-thiazol-2-yl}-1-pipéridinyl)-3-[3-(3-nitrophényl)-1,2,4-oxadiazol-5-yl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[4-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-thiazolyl]-1-piperidinyl]-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 760.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 413.4±35.7 °C
Index of Refraction: 1.595
Molar Refractivity: 168.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.74
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 98860.60
ACD/KOC (pH 5.5): 130913.05
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 98316.66
ACD/KOC (pH 7.4): 130192.76
Polar Surface Area: 166 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 496.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement