ChemSpider 2D Image | (2E,5Z)-5-(Chloromethylene)-2-methyl-N-{(2S)-3-methyl-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]-2-butanyl}-2-decen-9-ynamide | C24H32ClN3O2S

(2E,5Z)-5-(Chloromethylene)-2-methyl-N-{(2S)-3-methyl-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]-2-butanyl}-2-decen-9-ynamide

  • Molecular FormulaC24H32ClN3O2S
  • Average mass462.048 Da
  • Monoisotopic mass461.190369 Da
  • ChemSpider ID35516726

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E,5Z)-5-(Chlormethylen)-2-methyl-N-{(2S)-3-methyl-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]-2-butanyl}-2-decen-9-inamid [German] [ACD/IUPAC Name]
(2E,5Z)-5-(Chloromethylene)-2-methyl-N-{(2S)-3-methyl-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]-2-butanyl}-2-decen-9-ynamide [ACD/IUPAC Name]
(2E,5Z)-5-(Chlorométhylène)-2-méthyl-N-{(2S)-3-méthyl-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]-2-butanyl}-2-décén-9-ynamide [French] [ACD/IUPAC Name]
2-Decen-9-ynamide, 5-(chloromethylene)-2-methyl-N-[(1S)-2-methyl-1-[[(2S)-2-(2-thiazolyl)-1-pyrrolidinyl]carbonyl]propyl]-, (2E,5Z)- [ACD/Index Name]
smenothiazole B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.8±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 127.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 940.22
ACD/KOC (pH 5.5): 4672.41
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 942.45
ACD/KOC (pH 7.4): 4683.51
Polar Surface Area: 91 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 394.2±3.0 cm3

Click to predict properties on the Chemicalize site


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