Found 222 results

Search term: MF = 'C_{18}H_{29}N_{3}O_{2}S_{2}'
ChemSpider 2D Image | {2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-5-(1,4-dithiepan-6-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl}methanol | C18H29N3O2S2

{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-5-(1,4-dithiepan-6-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl}methanol

  • Molecular FormulaC18H29N3O2S2
  • Average mass383.572 Da
  • Monoisotopic mass383.170105 Da
  • ChemSpider ID71273128

More details:

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

{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-5-(1,4-dithiepan-6-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl}methanol [German] [ACD/IUPAC Name]
{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-5-(1,4-dithiepan-6-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl}methanol [ACD/IUPAC Name]
{2-[(3,5-Diméthyl-1,2-oxazol-4-yl)méthyl]-5-(1,4-dithiépan-6-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl}méthanol [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-3a(1H)-methanol, 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-5-(1,4-dithiepan-6-yl)hexahydro- [ACD/Index Name]
[2-[(3,5-dimethyl-4-isoxazolyl)methyl]-5-(1,4-dithiepan-6-yl)hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl]methanol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 516.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 266.0±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 42.03
Polar Surface Area: 103 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 302.1±3.0 cm3

Click to predict properties on the Chemicalize site


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