ChemSpider 2D Image | (10R,15S)-24-Methoxy-19-(3-methoxypropyl)-13-[4-(1-pyrrolidinyl)benzoyl]-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-hexaen-17-one | C37H46N4O6

(10R,15S)-24-Methoxy-19-(3-methoxypropyl)-13-[4-(1-pyrrolidinyl)benzoyl]-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-one

  • Molecular FormulaC37H46N4O6
  • Average mass642.784 Da
  • Monoisotopic mass642.341736 Da
  • ChemSpider ID62731826

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10R,15S)-24-Methoxy-19-(3-methoxypropyl)-13-[4-(1-pyrrolidinyl)benzoyl]-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-on [German] [ACD/IUPAC Name]
(10R,15S)-24-Methoxy-19-(3-methoxypropyl)-13-[4-(1-pyrrolidinyl)benzoyl]-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-one [ACD/IUPAC Name]
(10R,15S)-24-Méthoxy-19-(3-méthoxypropyl)-13-[4-(1-pyrrolidinyl)benzoyl]-2,9-dioxa-13,16,19-triazatétracyclo[19.3.1.13,7.010,15]hexacosa-1(25),3(26),4,6,21,23-hexaén-17-one [French] [ACD/IUPAC Name]
1H,17H-10,6:16,12-Dimethenopyrido[4,3-b][1,14,4,7]dioxadiazacycloeicosin-2(3H)-one, 4,5,18a,19,20,21,22,22a-octahydro-9-methoxy-4-(3-methoxypropyl)-21-[4-(1-pyrrolidinyl)benzoyl]-, (18aR,22aS)- [ACD/Index Name]
cis-9-methoxy-4-(3-methoxypropyl)-21-(4-pyrrolidin-1-ylbenzoyl)-4,5,18a,19,20,21,22,22a-octahydro-1H-6,10:12,16-dimethenopyrido[4,3-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: 847.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 466.3±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 179.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 50.83
ACD/KOC (pH 5.5): 423.41
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 149.37
ACD/KOC (pH 7.4): 1244.24
Polar Surface Area: 93 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 549.2±3.0 cm3

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