ChemSpider 2D Image | (3S,7S)-5-[(1-Ethyl-3-isopropyl-1H-pyrazol-5-yl)carbonyl]-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.1~10,14~.0~3,7~]pentacosa-1(22),10(25),11,13,20,23-hexaene-9,17-dione | C30H35N5O6

(3S,7S)-5-[(1-Ethyl-3-isopropyl-1H-pyrazol-5-yl)carbonyl]-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(22),10(25),11,13,20,23-hexaene-9,17-dione

  • Molecular FormulaC30H35N5O6
  • Average mass561.629 Da
  • Monoisotopic mass561.258728 Da
  • ChemSpider ID71343297

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,7S)-5-[(1-Ethyl-3-isopropyl-1H-pyrazol-5-yl)carbonyl]-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(22),10(25),11,13,20,23-hexaen-9,17-dion [German] [ACD/IUPAC Name]
(3S,7S)-5-[(1-Ethyl-3-isopropyl-1H-pyrazol-5-yl)carbonyl]-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(22),10(25),11,13,20,23-hexaene-9,17-dione [ACD/IUPAC Name]
(3S,7S)-5-[(1-Éthyl-3-isopropyl-1H-pyrazol-5-yl)carbonyl]-13-méthoxy-2,15-dioxa-5,8,18-triazatétracyclo[18.2.2.110,14.03,7]pentacosa-1(22),10(25),11,13,20,23-hexaène-9,17-dione [French] [ACD/IUPAC Name]
16H-2,5-Etheno-11,15-methenopyrrolo[3,4-k][1,10,4,13]dioxadiazacyclononadecine-8,16(9H)-dione, 19-[[1-ethyl-3-(1-methylethyl)-1H-pyrazol-5-yl]carbonyl]-6,7,17,17a,18,19,20,20a-octahydro-12-methoxy-, ( 17aS,20aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 877.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 484.6±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.28
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.36
ACD/KOC (pH 5.5): 82.79
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.36
ACD/KOC (pH 7.4): 82.79
Polar Surface Area: 124 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 415.6±7.0 cm3

Click to predict properties on the Chemicalize site


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