Found 1 result

Search term: NGRSXEMLDRQNMH-LPBFERMMSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea | C32H38N4O7

1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

  • Molecular FormulaC32H38N4O7
  • Average mass590.667 Da
  • Monoisotopic mass590.274048 Da
  • ChemSpider ID34232275

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-{(2R,3S)-2-{[(1,3-Benzodioxol-5-ylmethyl)(methyl)amino]methyl}-5-[(2S)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl}-3-(4-methoxyphenyl)harnstoff [German] [ACD/IUPAC Name]
1-{(2R,3S)-2-{[(1,3-Benzodioxol-5-ylmethyl)(methyl)amino]methyl}-5-[(2S)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl}-3-(4-methoxyphenyl)urea [ACD/IUPAC Name]
1-{(2R,3S)-2-{[(1,3-Benzodioxol-5-ylméthyl)(méthyl)amino]méthyl}-5-[(2S)-1-hydroxy-2-propanyl]-3-méthyl-6-oxo-3,4,5,6-tétrahydro-2H-1,5-benzoxazocin-8-yl}-3-(4-méthoxyphényl)urée [French] [ACD/IUPAC Name]
Urea, N-[(2R,3S)-2-[[(1,3-benzodioxol-5-ylmethyl)methylamino]methyl]-3,4,5,6-tetrahydro-5-[(1S)-2-hydroxy-1-methylethyl]-3-methyl-6-oxo-2H-1,5-benzoxazocin-8-yl]-N'-(4-methoxyphenyl)- [ACD/Index Name]
1456542-69-0 [RN]
BRD-7880

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.1±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 162.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.32
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 36.65
ACD/KOC (pH 7.4): 340.67
Polar Surface Area: 122 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 457.6±3.0 cm3

Click to predict properties on the Chemicalize site


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