ChemSpider 2D Image | (10S,15S)-12-[3-(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-25-methoxy-19-methyl-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.1~3,7~.0~10,15~]octacosa-1(25),3(28),4,6,23,26-hexaene-17,20-dione | C35H43N5O7

(10S,15S)-12-[3-(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-25-methoxy-19-methyl-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaene-17,20-dione

  • Molecular FormulaC35H43N5O7
  • Average mass645.745 Da
  • Monoisotopic mass645.316223 Da
  • ChemSpider ID115277805

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,15S)-12-[3-(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-25-methoxy-19-methyl-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaen-17,20-dion [German] [ACD/IUPAC Name]
(10S,15S)-12-[3-(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-25-methoxy-19-methyl-2,9-dioxa-12,16,19-triazatetracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaene-17,20-dione [ACD/IUPAC Name]
(10S,15S)-12-[3-(4-Acétyl-3,5-diméthyl-1H-pyrazol-1-yl)propanoyl]-25-méthoxy-19-méthyl-2,9-dioxa-12,16,19-triazatétracyclo[21.2.2.13,7.010,15]octacosa-1(25),3(28),4,6,23,26-hexaène-17,20-dione [French] [ACD/IUPAC Name]
18H-8,11-Etheno-13,17-metheno-1H-pyrido[3,4-b][1,15,4,7]dioxadiazacycloheneicosine-2,5-dione, 21-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropyl]-3,4,6,7,19a,20,21,22,23,23a-decahydro-10-methox y-4-methyl-, (19aS,23aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 907.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 502.5±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 175.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.79
ACD/KOC (pH 5.5): 619.15
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.79
ACD/KOC (pH 7.4): 619.16
Polar Surface Area: 132 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 498.2±7.0 cm3

Click to predict properties on the Chemicalize site


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