Found 51 results

Search term: MF = 'C_{35}H_{49}N_{5}O_{5}'
ChemSpider 2D Image | N-Isopropyl-2-[(4S,9R,22R,23S)-7-(4-methoxybenzyl)-2,13-dioxo-19-oxa-1,7,12,27-tetraazatetracyclo[20.3.1.1~14,18~.0~4,9~]heptacosa-14(27),15,17-trien-23-yl]acetamide | C35H49N5O5

N-Isopropyl-2-[(4S,9R,22R,23S)-7-(4-methoxybenzyl)-2,13-dioxo-19-oxa-1,7,12,27-tetraazatetracyclo[20.3.1.114,18.04,9]heptacosa-14(27),15,17-trien-23-yl]acetamide

  • Molecular FormulaC35H49N5O5
  • Average mass619.794 Da
  • Monoisotopic mass619.373352 Da
  • ChemSpider ID84488765

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

7,11-Methano-19,15-nitrilopyrido[3,4-k][1,8,15]oxadiazacycloheneicosine-10-acetamide, 1,2,3,4,4a,5,6,8,9,10,11,12,13,20,21,22,23,23a-octadecahydro-2-[(4-methoxyphenyl)methyl]-N-(1-methylethyl)-6,20-di oxo-, (4aS,10S,11R,23aR)- [ACD/Index Name]
N-Isopropyl-2-[(4S,9R,22R,23S)-7-(4-methoxybenzyl)-2,13-dioxo-19-oxa-1,7,12,27-tetraazatetracyclo[20.3.1.114,18.04,9]heptacosa-14(27),15,17-trien-23-yl]acetamid [German] [ACD/IUPAC Name]
N-Isopropyl-2-[(4S,9R,22R,23S)-7-(4-methoxybenzyl)-2,13-dioxo-19-oxa-1,7,12,27-tetraazatetracyclo[20.3.1.114,18.04,9]heptacosa-14(27),15,17-trien-23-yl]acetamide [ACD/IUPAC Name]
N-Isopropyl-2-[(4S,9R,22R,23S)-7-(4-méthoxybenzyl)-2,13-dioxo-19-oxa-1,7,12,27-tétraazatétracyclo[20.3.1.114,18.04,9]heptacosa-14(27),15,17-trién-23-yl]acétamide [French] [ACD/IUPAC 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: 859.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 124.9±3.0 kJ/mol
Flash Point: 473.7±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 173.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 2.76
ACD/KOC (pH 7.4): 25.35
Polar Surface Area: 113 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 507.7±5.0 cm3

Click to predict properties on the Chemicalize site


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