ChemSpider 2D Image | (10R,15S)-19,24-Dimethyl-13-[(4-methyl-1,4-diazepan-1-yl)acetyl]-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 | C31H41N5O5

(10R,15S)-19,24-Dimethyl-13-[(4-methyl-1,4-diazepan-1-yl)acetyl]-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 FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID62736762

  • 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-methyl-1,4-diazepan-1-yl)acetyl]-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-methyl-1,4-diazepan-1-yl)acetyl]-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-[2-(4-méthyl-1,4-diazépan-1-yl)acétyl]-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, 21-[2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)acetyl]-3,4,18a,19,20,21,22,22a-octahydro-4,9-dimethyl-, (18aR,22aS) - [ACD/Index Name]
cis-4,9-dimethyl-21-[(4-methyl-1,4-diazepan-1-yl)acetyl]-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, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 808.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 443.0±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 154.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -1.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 95 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 483.0±3.0 cm3

Click to predict properties on the Chemicalize site


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