ChemSpider 2D Image | (6S)-13-[(6-Isopropyl-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-24-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione | C33H47N5O7

(6S)-13-[(6-Isopropyl-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-24-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione

  • Molecular FormulaC33H47N5O7
  • Average mass625.756 Da
  • Monoisotopic mass625.347534 Da
  • ChemSpider ID62729734

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-13-[(6-Isopropyl-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-24-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-trien-4,7,18-trion [German] [ACD/IUPAC Name]
(6S)-13-[(6-Isopropyl-1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-24-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione [ACD/IUPAC Name]
(6S)-13-[(6-Isopropyl-1-méthyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-24-méthoxy-6,8-diméthyl-2-oxa-5,8,13,17-tétraazabicyclo[19.3.1]pentacosa-1(25),21,23-triène-4,7,18-trione [French] [ACD/IUPAC Name]
2-Oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione, 13-[[1,2-dihydro-1-methyl-6-(1-methylethyl)-2-oxo-3-pyridinyl]carbonyl]-24-methoxy-6,8-dimethyl-, (6S)- [ACD/Index Name]
(6S)-13-[(6-isopropyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-24-methoxy-6,8-dimethyl-2-oxa-5,8,13,17-tetraazabicyclo[19.3.1]pentacosa-1(25),21,23-triene-4,7,18-trione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 933.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.8±3.0 kJ/mol
Flash Point: 518.1±34.3 °C
Index of Refraction: 1.516
Molar Refractivity: 168.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.40
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.80
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.80
Polar Surface Area: 138 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 557.0±3.0 cm3

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