Found 106 results

Search term: MF = 'C_{31}H_{35}N_{5}O_{7}'
ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-1-({(2S,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-10-[(phenylcarbamoyl)amino]-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl}methyl)-1-methylurea | C31H35N5O7

3-(1,3-Benzodioxol-5-yl)-1-({(2S,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-10-[(phenylcarbamoyl)amino]-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl}methyl)-1-methylurea

  • Molecular FormulaC31H35N5O7
  • Average mass589.639 Da
  • Monoisotopic mass589.253662 Da
  • ChemSpider ID26396375

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-(1,3-Benzodioxol-5-yl)-1-({(2S,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-10-[(phenylcarbamoyl)amino]-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl}methyl)-1-methylharnstoff [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-1-({(2S,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-10-[(phenylcarbamoyl)amino]-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl}methyl)-1-methylurea [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-1-({(2S,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-méthyl-6-oxo-10-[(phénylcarbamoyl)amino]-3,4,5,6-tétrahydro-2H-1,5-benzoxazocin-2-yl}méthyl)-1-méthylurée [French] [ACD/IUPAC Name]
Urea, N'-1,3-benzodioxol-5-yl-N-methyl-N-[[(2S,3S)-3,4,5,6-tetrahydro-5-[(1R)-2-hydroxy-1-methylethyl]-3-methyl-6-oxo-10-[[(phenylamino)carbonyl]amino]-2H-1,5-benzoxazocin-2-yl]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 751.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 408.0±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 160.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.59
ACD/KOC (pH 5.5): 1009.75
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.60
ACD/KOC (pH 7.4): 1009.81
Polar Surface Area: 142 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 433.9±3.0 cm3

Click to predict properties on the Chemicalize site


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