ChemSpider 2D Image | (10S,14S)-18-Cyclopropyl-24-methoxy-12-([1,2,4]triazolo[4,3-a]pyridin-8-ylcarbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.1~3,7~.0~10,14~]heptacosa-1(24),3(27),4,6,22,25-hexaene-16,19-dione | C33H34N6O6

(10S,14S)-18-Cyclopropyl-24-methoxy-12-([1,2,4]triazolo[4,3-a]pyridin-8-ylcarbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3(27),4,6,22,25-hexaene-16,19-dione

  • Molecular FormulaC33H34N6O6
  • Average mass610.660 Da
  • Monoisotopic mass610.253967 Da
  • ChemSpider ID62723325
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(10S,14S)-18-Cyclopropyl-24-methoxy-12-([1,2,4]triazolo[4,3-a]pyridin-8-ylcarbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3(27),4,6,22,25-hexaen-16,19-dion [German] [ACD/IUPAC Name]
(10S,14S)-18-Cyclopropyl-24-methoxy-12-([1,2,4]triazolo[4,3-a]pyridin-8-ylcarbonyl)-2,9-dioxa-12,15,18-triazatetracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3(27),4,6,22,25-hexaene-16,19-dione [ACD/IUPAC Name]
(10S,14S)-18-Cyclopropyl-24-méthoxy-12-([1,2,4]triazolo[4,3-a]pyridin-8-ylcarbonyl)-2,9-dioxa-12,15,18-triazatétracyclo[20.2.2.13,7.010,14]heptacosa-1(24),3(27),4,6,22,25-hexaène-16,19-dione [French] [ACD/IUPAC Name]
18H-8,11-Etheno-17,13-methenopyrrolo[3,4-b][1,15,4,7]dioxadiazacycloheneicosine-2,5-dione, 4-cyclopropyl-1,3,4,6,7,19a,20,21,22,22a-decahydro-10-methoxy-21-(1,2,4-triazolo[4,3-a]pyridin-8-ylcarbonyl)- , (19aS,22aS)- [ACD/Index Name]
trans-4-cyclopropyl-24-methoxy-21-([1,2,4]triazolo[4,3-a]pyridin-8-ylcarbonyl)-1,3,4,6,7,19a,20,21,22,22a-decahydro-8,11-etheno-13,17-methenopyrrolo[3,4-b][1,15,4,7]dioxadiazacyclohenicosine-2,5-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.711
Molar Refractivity: 164.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.55
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 49.37
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 49.39
Polar Surface Area: 128 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 420.0±7.0 cm3

Click to predict properties on the Chemicalize site






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