ChemSpider 2D Image | (13E)-21-Chloro-16-(2-methoxyphenyl)-2H,8H-spiro[11-oxa-17-thia-3,7,16-triazatricyclo[16.3.1.1~3,6~]tricosa-1(22),13,18,20-tetraene-9,2'-[1,4]oxazinane]-2,8-dione 17,17-dioxide | C28H33ClN4O7S

(13E)-21-Chloro-16-(2-methoxyphenyl)-2H,8H-spiro[11-oxa-17-thia-3,7,16-triazatricyclo[16.3.1.13,6]tricosa-1(22),13,18,20-tetraene-9,2'-[1,4]oxazinane]-2,8-dione 17,17-dioxide

  • Molecular FormulaC28H33ClN4O7S
  • Average mass605.102 Da
  • Monoisotopic mass604.175842 Da
  • ChemSpider ID104737540

  • Double-bond stereo - Double-bond stereo

More details:

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

(13E)-21-Chloro-16-(2-methoxyphenyl)-2H,8H-spiro[11-oxa-17-thia-3,7,16-triazatricyclo[16.3.1.13,6]tricosa-1(22),13,18,20-tetraene-9,2'-[1,4]oxazinane]-2,8-dione 17,17-dioxide [ACD/IUPAC Name]
Spiro[morpholine-2,9'-[11]oxa[17]thia[3,7,16]triazatricyclo[16.3.1.13,6]tricosa[1(22),13,18,20]tetraene]-2',8'-dione, 21'-chloro-16'-(2-methoxyphenyl)-, 17',17'-dioxide, (13'E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 153.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 42.01
Polar Surface Area: 135 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 416.4±5.0 cm3

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