ChemSpider 2D Image | (5R)-5-Methyl-N-{1-[(2R)-2-methyl-1-pyrrolidinyl]-1-oxo-3-(1,3-thiazol-4-yl)-2-propanyl}-2-oxo-1,3-oxazolidine-4-carboxamide | C16H22N4O4S

(5R)-5-Methyl-N-{1-[(2R)-2-methyl-1-pyrrolidinyl]-1-oxo-3-(1,3-thiazol-4-yl)-2-propanyl}-2-oxo-1,3-oxazolidine-4-carboxamide

  • Molecular FormulaC16H22N4O4S
  • Average mass366.435 Da
  • Monoisotopic mass366.136169 Da
  • ChemSpider ID68025386

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5R)-5-Methyl-N-{1-[(2R)-2-methyl-1-pyrrolidinyl]-1-oxo-3-(1,3-thiazol-4-yl)-2-propanyl}-2-oxo-1,3-oxazolidin-4-carboxamid [German] [ACD/IUPAC Name]
(5R)-5-Methyl-N-{1-[(2R)-2-methyl-1-pyrrolidinyl]-1-oxo-3-(1,3-thiazol-4-yl)-2-propanyl}-2-oxo-1,3-oxazolidine-4-carboxamide [ACD/IUPAC Name]
(5R)-5-Méthyl-N-{1-[(2R)-2-méthyl-1-pyrrolidinyl]-1-oxo-3-(1,3-thiazol-4-yl)-2-propanyl}-2-oxo-1,3-oxazolidine-4-carboxamide [French] [ACD/IUPAC Name]
4-Oxazolidinecarboxamide, 5-methyl-N-[2-[(2R)-2-methyl-1-pyrrolidinyl]-2-oxo-1-(4-thiazolylmethyl)ethyl]-2-oxo-, (5R)- [ACD/Index Name]
rovatirelin [INN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 755.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.5±32.9 °C
Index of Refraction: 1.569
Molar Refractivity: 91.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 48.26
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.25
Polar Surface Area: 129 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 278.6±3.0 cm3

Click to predict properties on the Chemicalize site


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