ChemSpider 2D Image | (10R,15S)-19,24-Dimethyl-13-[4-(4-methyl-1-piperazinyl)benzoyl]-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.1~3,7~.0~10,15~]hexacosa-1(25),3(26),4,6,21,23-hexaene-17,20-dione | C35H41N5O5

(10R,15S)-19,24-Dimethyl-13-[4-(4-methyl-1-piperazinyl)benzoyl]-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaene-17,20-dione

  • Molecular FormulaC35H41N5O5
  • Average mass611.731 Da
  • Monoisotopic mass611.310791 Da
  • ChemSpider ID62729858
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(10R,15S)-19,24-Dimethyl-13-[4-(4-methyl-1-piperazinyl)benzoyl]-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaen-17,20-dion [German] [ACD/IUPAC Name]
(10R,15S)-19,24-Dimethyl-13-[4-(4-methyl-1-piperazinyl)benzoyl]-2,9-dioxa-13,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaene-17,20-dione [ACD/IUPAC Name]
(10R,15S)-19,24-Diméthyl-13-[4-(4-méthyl-1-pipérazinyl)benzoyl]-2,9-dioxa-13,16,19-triazatétracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaène-17,20-dione [French] [ACD/IUPAC Name]
1H,17H-10,6:16,12-Dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloeicosine-2,5-dione, 3,4,18a,19,20,21,22,22a-octahydro-4,9-dimethyl-21-[4-(4-methyl-1-piperazinyl)benzoyl]-, (18aR,22aS)- [ACD/Index Name]
cis-4,9-dimethyl-21-[4-(4-methylpiperazin-1-yl)benzoyl]-3,4,18a,19,20,21,22,22a-octahydro-1H-6,10:12,16-dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloicosine-2,5-dione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 857.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 472.7±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 170.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.11
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 11.64
ACD/KOC (pH 7.4): 162.96
Polar Surface Area: 95 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 509.8±3.0 cm3

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