ChemSpider 2D Image | 2-[4,5-Dimethoxy-2-(4-morpholinylsulfonyl)phenyl]-N-{(1S)-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl}-N-methylacetamide | C27H37N3O7S

2-[4,5-Dimethoxy-2-(4-morpholinylsulfonyl)phenyl]-N-{(1S)-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl}-N-methylacetamide

  • Molecular FormulaC27H37N3O7S
  • Average mass547.664 Da
  • Monoisotopic mass547.235229 Da
  • ChemSpider ID8251707

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[4,5-Dimethoxy-2-(4-morpholinylsulfonyl)phenyl]-N-{(1S)-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl}-N-methylacetamid [German] [ACD/IUPAC Name]
2-[4,5-Dimethoxy-2-(4-morpholinylsulfonyl)phenyl]-N-{(1S)-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl}-N-methylacetamide [ACD/IUPAC Name]
2-[4,5-Diméthoxy-2-(4-morpholinylsulfonyl)phényl]-N-{(1S)-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phényléthyl}-N-méthylacétamide [French] [ACD/IUPAC Name]
2-[4,5-dimethoxy-2-(morpholin-4-ylsulfonyl)phenyl]-N-{(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl}-N-methylacetamide
Benzeneacetamide, N-[(1S)-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl]-4,5-dimethoxy-N-methyl-2-(4-morpholinylsulfonyl)- [ACD/Index Name]
2-[4,5-Dimethoxy-2-(morpholine-4-sulfonyl)-phenyl]-N-[(S)-2-((S)-3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-N-methyl-acetamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL429677/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 742.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.0±35.7 °C
Index of Refraction: 1.594
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 3.47
ACD/KOC (pH 7.4): 59.87
Polar Surface Area: 117 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 424.8±3.0 cm3

Click to predict properties on the Chemicalize site


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