ChemSpider 2D Image | 2-{[6-(Hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide | C28H26N4O5S

2-{[6-(Hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide

  • Molecular FormulaC28H26N4O5S
  • Average mass530.595 Da
  • Monoisotopic mass530.162415 Da
  • ChemSpider ID1610831

More details:

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

2-{[6-(Hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[6-(Hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide [ACD/IUPAC Name]
2-{[6-(Hydroxyméthyl)-2-(4-méthoxyphényl)-9-méthyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]thio]-N-(2-methoxyphenyl)- [ACD/Index Name]
2-((6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl)thio)-N-(2-methoxyphenyl)acetamide
2-{[11-(hydroxymethyl)-5-(4-methoxyphenyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
867040-64-0 [RN]

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

ZINC02716086 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 684.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.4±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 597.70
ACD/KOC (pH 5.5): 3348.56
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 617.87
ACD/KOC (pH 7.4): 3461.53
Polar Surface Area: 141 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 79.8±5.0 dyne/cm
Molar Volume: 372.2±5.0 cm3

Click to predict properties on the Chemicalize site


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