ChemSpider 2D Image | (9S)-9-Isopropyl-19-methoxy-4-methyl-13-{3-[4-(4-morpholinyl)butoxy]benzyl}-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.1~2,5~]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione | C37H51N5O7

(9S)-9-Isopropyl-19-methoxy-4-methyl-13-{3-[4-(4-morpholinyl)butoxy]benzyl}-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione

  • Molecular FormulaC37H51N5O7
  • Average mass677.830 Da
  • Monoisotopic mass677.378845 Da
  • ChemSpider ID81379072

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S)-9-Isopropyl-19-methoxy-4-methyl-13-{3-[4-(4-morpholinyl)butoxy]benzyl}-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-8,11-dion [German] [ACD/IUPAC Name]
(9S)-9-Isopropyl-19-methoxy-4-methyl-13-{3-[4-(4-morpholinyl)butoxy]benzyl}-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione [ACD/IUPAC Name]
(9S)-9-Isopropyl-19-méthoxy-4-méthyl-13-{3-[4-(4-morpholinyl)butoxy]benzyl}-3,17-dioxa-7,10,13,23-tétraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaène-8,11-dione [French] [ACD/IUPAC Name]
3,17-Dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione, 19-methoxy-4-methyl-9-(1-methylethyl)-13-[[3-[4-(4-morpholinyl)butoxy]phenyl]methyl]-, (9S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.535
Molar Refractivity: 185.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.19
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 71.28
ACD/KOC (pH 7.4): 595.30
Polar Surface Area: 128 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 595.4±3.0 cm3

Click to predict properties on the Chemicalize site


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