ChemSpider 2D Image | (10R,15S)-13-[(4-Ethyl-1-piperazinyl)acetyl]-19-methyl-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 | C32H43N5O5

(10R,15S)-13-[(4-Ethyl-1-piperazinyl)acetyl]-19-methyl-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 FormulaC32H43N5O5
  • Average mass577.714 Da
  • Monoisotopic mass577.326416 Da
  • ChemSpider ID62734945

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,15S)-13-[(4-Ethyl-1-piperazinyl)acetyl]-19-methyl-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)-13-[(4-Ethyl-1-piperazinyl)acetyl]-19-methyl-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)-13-[2-(4-Éthyl-1-pipérazinyl)acétyl]-19-méthyl-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, 23-[2-(4-ethyl-1-piperazinyl)acetyl]-3,4,6,7,20a,21,22,23,24,24a-decahydro-4-methyl-, (20aR,24aS)- [ACD/Index Name]
cis-23-[(4-ethylpiperazin-1-yl)acetyl]-4-methyl-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, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 829.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 455.3±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 158.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.89
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 55.91
Polar Surface Area: 95 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 502.1±3.0 cm3

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