Found 594 results

Search term: MF = 'C_{32}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | (4aR,19aS)-5-[(3-Methylphenyl)acetyl]-13-propyl-1,3,4,4a,5,6,7,8,9,10,11,12,13,19a-tetradecahydrodibenzo[b,n][1,4,12]oxadiazacyclopentadecin-14(2H)-one | C32H44N2O3

(4aR,19aS)-5-[(3-Methylphenyl)acetyl]-13-propyl-1,3,4,4a,5,6,7,8,9,10,11,12,13,19a-tetradecahydrodibenzo[b,n][1,4,12]oxadiazacyclopentadecin-14(2H)-one

  • Molecular FormulaC32H44N2O3
  • Average mass504.703 Da
  • Monoisotopic mass504.335205 Da
  • ChemSpider ID80826450

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,19aS)-5-[(3-Methylphenyl)acetyl]-13-propyl-1,3,4,4a,5,6,7,8,9,10,11,12,13,19a-tetradecahydrodibenzo[b,n][1,4,12]oxadiazacyclopentadecin-14(2H)-on [German] [ACD/IUPAC Name]
(4aR,19aS)-5-[(3-Methylphenyl)acetyl]-13-propyl-1,3,4,4a,5,6,7,8,9,10,11,12,13,19a-tetradecahydrodibenzo[b,n][1,4,12]oxadiazacyclopentadecin-14(2H)-one [ACD/IUPAC Name]
(4aR,19aS)-5-[2-(3-Méthylphényl)acétyl]-13-propyl-1,3,4,4a,5,6,7,8,9,10,11,12,13,19a-tétradécahydrodibenzo[b,n][1,4,12]oxadiazacyclopentadécin-14(2H)-one [French] [ACD/IUPAC Name]
Dibenz[b,n][1,4,12]oxadiazacyclopentadecin-14(2H)-one, 1,3,4,4a,5,6,7,8,9,10,11,12,13,19a-tetradecahydro-5-[2-(3-methylphenyl)acetyl]-13-propyl-, (4aR,19aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 685.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.3±31.5 °C
Index of Refraction: 1.531
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.29
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40104.30
ACD/KOC (pH 5.5): 68635.20
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 40104.34
ACD/KOC (pH 7.4): 68635.27
Polar Surface Area: 50 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 479.9±3.0 cm3

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