ChemSpider 2D Image | (10R,15S)-13-[3-(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-23-methoxy-2,9-dioxa-13,16-diazatetracyclo[18.3.1.1~3,7~.0~10,15~]pentacosa-1(24),3(25),4,6,20,22-hexaen-17-one | C32H36N6O5

(10R,15S)-13-[3-(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-23-methoxy-2,9-dioxa-13,16-diazatetracyclo[18.3.1.13,7.010,15]pentacosa-1(24),3(25),4,6,20,22-hexaen-17-one

  • Molecular FormulaC32H36N6O5
  • Average mass584.665 Da
  • Monoisotopic mass584.274719 Da
  • ChemSpider ID62720338

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,15S)-13-[3-(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-23-methoxy-2,9-dioxa-13,16-diazatetracyclo[18.3.1.13,7.010,15]pentacosa-1(24),3(25),4,6,20,22-hexaen-17-on [German] [ACD/IUPAC Name]
(10R,15S)-13-[3-(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-23-methoxy-2,9-dioxa-13,16-diazatetracyclo[18.3.1.13,7.010,15]pentacosa-1(24),3(25),4,6,20,22-hexaen-17-one [ACD/IUPAC Name]
(10R,15S)-13-[3-(5,7-Diméthyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-23-méthoxy-2,9-dioxa-13,16-diazatétracyclo[18.3.1.13,7.010,15]pentacosa-1(24),3(25),4,6,20,22-hexaén-17-one [French] [ACD/IUPAC Name]
3,7:9,13-Dimetheno-2H-pyrido[4,3-b][1,13,4]dioxaazacyclononadecin-16(17H)-one, 19-[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-oxopropyl]-14,15,17a,18,19,20,21,21a-octahydro-10-methoxy-, (1 7aS,21aR)- [ACD/Index Name]
cis-19-[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-10-methoxy-14,15,17a,18,19,20,21,21a-octahydro-7,3:13,9-dimethenopyrido[4,3-b][1,13,4]dioxazacyclononadecin-16(17H)-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 160.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 201.97
ACD/KOC (pH 5.5): 1554.92
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.02
ACD/KOC (pH 7.4): 1555.30
Polar Surface Area: 120 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 427.5±7.0 cm3

Click to predict properties on the Chemicalize site


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