ChemSpider 2D Image | 15-(Cyclopropylmethyl)-20-methoxy-N-(3-methoxypropyl)-8-[(2-methyl-5-pyrimidinyl)carbonyl]-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxamide | C33H46N6O7

15-(Cyclopropylmethyl)-20-methoxy-N-(3-methoxypropyl)-8-[(2-methyl-5-pyrimidinyl)carbonyl]-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxamide

  • Molecular FormulaC33H46N6O7
  • Average mass638.754 Da
  • Monoisotopic mass638.342773 Da
  • ChemSpider ID81376724

More details:

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

15-(Cyclopropylmethyl)-20-methoxy-N-(3-methoxypropyl)-8-[(2-methyl-5-pyrimidinyl)carbonyl]-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-trien-15-carboxamid [German] [ACD/IUPAC Name]
15-(Cyclopropylmethyl)-20-methoxy-N-(3-methoxypropyl)-8-[(2-methyl-5-pyrimidinyl)carbonyl]-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]henicosa-1(21),17,19-triene-15-carboxamide [ACD/IUPAC Name]
15-(Cyclopropylméthyl)-20-méthoxy-N-(3-méthoxypropyl)-8-[(2-méthyl-5-pyrimidinyl)carbonyl]-4,12-dioxo-2-oxa-5,8,13-triazabicyclo[15.3.1]hénicosa-1(21),17,19-triène-15-carboxamide [French] [ACD/IUPAC Name]
2-Oxa-5,8,13-triazabicyclo[15.3.1]heneicosa-1(21),17,19-triene-15-carboxamide, 15-(cyclopropylmethyl)-20-methoxy-N-(3-methoxypropyl)-8-[(2-methyl-5-pyrimidinyl)carbonyl]-4,12-dioxo- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 926.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.8±3.0 kJ/mol
Flash Point: 513.8±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 169.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.28
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.28
Polar Surface Area: 161 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 543.5±3.0 cm3

Click to predict properties on the Chemicalize site


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