ChemSpider 2D Image | 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]propanamide | C37H51N5O7

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]propanamide

  • Molecular FormulaC37H51N5O7
  • Average mass677.830 Da
  • Monoisotopic mass677.378845 Da
  • ChemSpider ID71269554

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

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]propanamid [German] [ACD/IUPAC Name]
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]propanamide [ACD/IUPAC Name]
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]propanamide [French] [ACD/IUPAC Name]
Propanamide, 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-trien-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: 997.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.7±3.0 kJ/mol
Flash Point: 556.8±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 185.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.79
ACD/KOC (pH 5.5): 820.73
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.78
ACD/KOC (pH 7.4): 820.73
Polar Surface Area: 155 Å2
Polarizability: 73.6±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 552.2±5.0 cm3

Click to predict properties on the Chemicalize site


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