ChemSpider 2D Image | (10S,15S)-19-Ethyl-23-isopropoxy-13-[3-(6-oxo-1,6-dihydro-3-pyridazinyl)propanoyl]-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 | C33H39N5O7

(10S,15S)-19-Ethyl-23-isopropoxy-13-[3-(6-oxo-1,6-dihydro-3-pyridazinyl)propanoyl]-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 FormulaC33H39N5O7
  • Average mass617.692 Da
  • Monoisotopic mass617.284973 Da
  • ChemSpider ID62729694

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,15S)-19-Ethyl-23-isopropoxy-13-[3-(6-oxo-1,6-dihydro-3-pyridazinyl)propanoyl]-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]
(10S,15S)-19-Ethyl-23-isopropoxy-13-[3-(6-oxo-1,6-dihydro-3-pyridazinyl)propanoyl]-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]
(10S,15S)-19-Éthyl-23-isopropoxy-13-[3-(6-oxo-1,6-dihydro-3-pyridazinyl)propanoyl]-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-6,10:12,16-Dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloeicosine-2,5-dione, 21-[3-(1,6-dihydro-6-oxo-3-pyridazinyl)-1-oxopropyl]-4-ethyl-3,4,18a,19,20,21,22,22a-octahydro-8-(1-methylethoxy)-, (18aS,22aS)- [ACD/Index Name]
trans-4-ethyl-8-isopropoxy-21-[3-(6-oxo-1,6-dihydropyridazin-3-yl)propanoyl]-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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 166.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.66
ACD/KOC (pH 5.5): 135.19
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.66
ACD/KOC (pH 7.4): 135.18
Polar Surface Area: 139 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 461.8±7.0 cm3

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