ChemSpider 2D Image | (10S,15S)-19-Ethyl-23-isopropoxy-13-(1H-pyrazol-4-ylsulfonyl)-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 | C29H35N5O7S

(10S,15S)-19-Ethyl-23-isopropoxy-13-(1H-pyrazol-4-ylsulfonyl)-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 FormulaC29H35N5O7S
  • Average mass597.682 Da
  • Monoisotopic mass597.225708 Da
  • ChemSpider ID62730621

  • 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-(1H-pyrazol-4-ylsulfonyl)-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-(1H-pyrazol-4-ylsulfonyl)-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-(1H-pyrazol-4-ylsulfonyl)-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, 4-ethyl-3,4,18a,19,20,21,22,22a-octahydro-8-(1-methylethoxy)-21-(1H-pyrazol-4-ylsulfonyl)-, (18aS,22aS)- [ACD/Index Name]
trans-4-ethyl-8-isopropoxy-21-(1H-pyrazol-4-ylsulfonyl)-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: 1.575
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.96
ACD/KOC (pH 5.5): 367.91
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.95
ACD/KOC (pH 7.4): 367.80
Polar Surface Area: 152 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 467.0±3.0 cm3

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