ChemSpider 2D Image | (2R)-2-({5-[(2-Amino-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-methoxy-2-nitrophenyl)propanamide | C14H15N5O5S3

(2R)-2-({5-[(2-Amino-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-methoxy-2-nitrophenyl)propanamide

  • Molecular FormulaC14H15N5O5S3
  • Average mass429.494 Da
  • Monoisotopic mass429.023529 Da
  • ChemSpider ID62368273

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-({5-[(2-Amino-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-methoxy-2-nitrophenyl)propanamid [German] [ACD/IUPAC Name]
(2R)-2-({5-[(2-Amino-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-methoxy-2-nitrophenyl)propanamide [ACD/IUPAC Name]
(2R)-2-({5-[(2-Amino-2-oxoéthyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-méthoxy-2-nitrophényl)propanamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[5-[(2-amino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-N-(4-methoxy-2-nitrophenyl)-, (2R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.27
ACD/KOC (pH 5.5): 418.39
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.26
ACD/KOC (pH 7.4): 418.33
Polar Surface Area: 232 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 87.3±5.0 dyne/cm
Molar Volume: 274.4±5.0 cm3

Click to predict properties on the Chemicalize site


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