ChemSpider 2D Image | (10R,15S)-19-Methyl-13-[5-(1-piperidinylcarbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.1~3,7~.0~10,15~]octacosa-1(27),3(28),4,6,23,25-hexaene-17,20-dione | C35H41N5O5

(10R,15S)-19-Methyl-13-[5-(1-piperidinylcarbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaene-17,20-dione

  • Molecular FormulaC35H41N5O5
  • Average mass611.731 Da
  • Monoisotopic mass611.310791 Da
  • ChemSpider ID62721702
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(10R,15S)-19-Methyl-13-[5-(1-piperidinylcarbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaen-17,20-dion [German] [ACD/IUPAC Name]
(10R,15S)-19-Methyl-13-[5-(1-piperidinylcarbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaene-17,20-dione [ACD/IUPAC Name]
(10R,15S)-19-Méthyl-13-[5-(1-pipéridinylcarbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatétracyclo[21.3.1.13,7.010,15]octacosa-1(27),3(28),4,6,23,25-hexaène-17,20-dione [French] [ACD/IUPAC Name]
1H,19H-8,12:18,14-Dimethenopyrido[4,3-b][1,16,4,7]dioxadiazacyclodocosine-2,5-dione, 3,4,6,7,20a,21,22,23,24,24a-decahydro-4-methyl-23-[5-(1-piperidinylcarbonyl)-2-pyridinyl]-, (20aR,24aS)- [ACD/Index Name]
cis-4-methyl-23-[5-(piperidin-1-ylcarbonyl)pyridin-2-yl]-3,4,6,7,20a,21,22,23,24,24a-decahydro-1H-8,12:14,18-dimethenopyrido[4,3-b][1,16,4,7]dioxadiazacyclodocosine-2,5-dione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 898.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 497.2±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 169.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 18.77
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 47.85
ACD/KOC (pH 7.4): 487.64
Polar Surface Area: 104 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 511.2±3.0 cm3

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