ChemSpider 2D Image | 2-Cyclopropyl-N-[(4S,10R,13S,16S)-8-(cyclopropylmethyl)-4-isobutyl-13-(4-methoxybenzyl)-10-methyl-6,9,12,15-tetraoxo-2-oxa-5,8,11,14-tetraazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-yl]acetamide | C39H53N5O7

2-Cyclopropyl-N-[(4S,10R,13S,16S)-8-(cyclopropylmethyl)-4-isobutyl-13-(4-methoxybenzyl)-10-methyl-6,9,12,15-tetraoxo-2-oxa-5,8,11,14-tetraazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-yl]acetamide

  • Molecular FormulaC39H53N5O7
  • Average mass703.867 Da
  • Monoisotopic mass703.394470 Da
  • ChemSpider ID71270185

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Cyclopropyl-N-[(4S,10R,13S,16S)-8-(cyclopropylmethyl)-4-isobutyl-13-(4-methoxybenzyl)-10-methyl-6,9,12,15-tetraoxo-2-oxa-5,8,11,14-tetraazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-yl]acetamid [German] [ACD/IUPAC Name]
2-Cyclopropyl-N-[(4S,10R,13S,16S)-8-(cyclopropylmethyl)-4-isobutyl-13-(4-methoxybenzyl)-10-methyl-6,9,12,15-tetraoxo-2-oxa-5,8,11,14-tetraazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-yl]acetamide [ACD/IUPAC Name]
2-Cyclopropyl-N-[(4S,10R,13S,16S)-8-(cyclopropylméthyl)-4-isobutyl-13-(4-méthoxybenzyl)-10-méthyl-6,9,12,15-tétraoxo-2-oxa-5,8,11,14-tétraazabicyclo[16.2.2]docosa-1(20),18,21-trién-16-yl]acétamide [French] [ACD/IUPAC Name]
Cyclopropaneacetamide, N-[(4S,10R,13S,16S)-8-(cyclopropylmethyl)-13-[(4-methoxyphenyl)methyl]-10-methyl-4-(2-methylpropyl)-6,9,12,15-tetraoxo-2-oxa-5,8,11,14-tetraazabicyclo[16.2.2]docosa-18,20,21-tri en-16-yl]- [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: 1018.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.0±3.0 kJ/mol
Flash Point: 569.6±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 192.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.01
ACD/KOC (pH 5.5): 1032.03
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.01
ACD/KOC (pH 7.4): 1032.02
Polar Surface Area: 155 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 566.0±5.0 cm3

Click to predict properties on the Chemicalize site


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