ChemSpider 2D Image | (10S,14S)-12-[(2,3-Dimethyl-6-quinoxalinyl)carbonyl]-23-methoxy-18-methyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.1~3,7~.0~10,14~]pentacosa-1(24),3(25),4,6,20,22-hexaen-16-one | C33H35N5O5

(10S,14S)-12-[(2,3-Dimethyl-6-quinoxalinyl)carbonyl]-23-methoxy-18-methyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(24),3(25),4,6,20,22-hexaen-16-one

  • Molecular FormulaC33H35N5O5
  • Average mass581.661 Da
  • Monoisotopic mass581.263794 Da
  • ChemSpider ID62732031

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S,14S)-12-[(2,3-Dimethyl-6-chinoxalinyl)carbonyl]-23-methoxy-18-methyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(24),3(25),4,6,20,22-hexaen-16-on [German] [ACD/IUPAC Name]
(10S,14S)-12-[(2,3-Dimethyl-6-quinoxalinyl)carbonyl]-23-methoxy-18-methyl-2,9-dioxa-12,15,18-triazatetracyclo[18.3.1.13,7.010,14]pentacosa-1(24),3(25),4,6,20,22-hexaen-16-one [ACD/IUPAC Name]
(10S,14S)-12-[(2,3-Diméthyl-6-quinoxalinyl)carbonyl]-23-méthoxy-18-méthyl-2,9-dioxa-12,15,18-triazatétracyclo[18.3.1.13,7.010,14]pentacosa-1(24),3(25),4,6,20,22-hexaén-16-one [French] [ACD/IUPAC Name]
10,6:16,12-Dimetheno-17H-pyrrolo[3,4-b][1,14,4,7]dioxadiazacycloeicosin-2(3H)-one, 20-[(2,3-dimethyl-6-quinoxalinyl)carbonyl]-1,4,5,18a,19,20,21,21a-octahydro-9-methoxy-4-methyl-, (18aS,21aS)- [ACD/Index Name]
trans-20-[(2,3-dimethylquinoxalin-6-yl)carbonyl]-9-methoxy-4-methyl-1,4,5,18a,19,20,21,21a-octahydro-6,10:12,16-dimethenopyrrolo[3,4-b][1,14,4,7]dioxadiazacycloicosin-2(3H)-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 815.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 446.7±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 162.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 17.53
ACD/KOC (pH 5.5): 172.85
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 80.66
ACD/KOC (pH 7.4): 795.37
Polar Surface Area: 106 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 473.1±3.0 cm3

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