ChemSpider 2D Image | 2-{[6-(Hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide | C30H30N4O3S

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

  • Molecular FormulaC30H30N4O3S
  • Average mass526.649 Da
  • Monoisotopic mass526.203857 Da
  • ChemSpider ID18397557

More details:

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

2-{[6-(Hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-isopropylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[6-(Hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide [ACD/IUPAC Name]
2-{[6-(Hydroxyméthyl)-9-méthyl-2-(4-méthylphényl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-isopropylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]thio]-N-[4-(1-methylethyl)phenyl]- [ACD/Index Name]
2-((6-(hydroxymethyl)-9-methyl-2-(p-tolyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl)thio)-N-(4-isopropylphenyl)acetamide
2-{[11-(hydroxymethyl)-14-methyl-5-(4-methylphenyl)-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-[4-(propan-2-yl)phenyl]acetamide
892386-64-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 364.2±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3860.10
ACD/KOC (pH 5.5): 12725.74
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3991.88
ACD/KOC (pH 7.4): 13160.19
Polar Surface Area: 123 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 393.0±5.0 cm3

Click to predict properties on the Chemicalize site


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