ChemSpider 2D Image | Diphenylmethyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C36H28N4O4S3

Diphenylmethyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC36H28N4O4S3
  • Average mass676.827 Da
  • Monoisotopic mass676.127258 Da
  • ChemSpider ID23351055

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,7R)-8-Oxo-7-[(2-phénylacétyl)amino]-3-{[4-(4-pyridinyl)-1,3-thiazol-2-yl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de diphénylméthyle [French] [ACD/IUPAC Name]
400827-68-1 [RN]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-, diphenylmethyl ester, (6R,7R)- [ACD/Index Name]
Diphenylmethyl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Diphenylmethyl (6R,7R)-8-oxo-7-[(phenylacetyl)amino]-3-{[4-(4-pyridinyl)-1,3-thiazol-2-yl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
Diphenylmethyl (6R,7R)-8-oxo-7-[(phenylacetyl)amino]-3-{[4-(4-pyridinyl)-2-thiazolyl]thio}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Diphenylmethyl (6R,7R)-8-oxo-7-[(phenylacetyl)amino]-3-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Diphenylmethyl-(6R,7R)-8-oxo-7-[(phenylacetyl)amino]-3-{[4-(4-pyridinyl)-1,3-thiazol-2-yl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
T46 ANV ES GUTJ CMV1R& HVOYR&R& GS- BT5N CSJ E- DT6NJ &&(6R,7R)- Form [WLN]
(6R,7R)-benzhydryl 8-oxo-7-(2-phenylacetamido)-3-((4-(pyridin-4-yl)thiazol-2-yl)thio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.747
Molar Refractivity: 186.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6698.29
ACD/KOC (pH 5.5): 19062.71
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6699.98
ACD/KOC (pH 7.4): 19067.51
Polar Surface Area: 180 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 459.5±5.0 cm3

Click to predict properties on the Chemicalize site


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