ChemSpider 2D Image | (12'Z)-20'-Chloro-15'-(2-methoxyphenyl)-2'H,7'H-dispiro[cyclopropane-1,5'-[10]oxa[16]thia[3,6,15]triazabicyclo[15.3.1]henicosa[1(21),12,17,19]tetraene-8',2''-[1,4]oxazinane]-2',7'-dione 16',16'-dioxid e | C28H33ClN4O7S

(12'Z)-20'-Chloro-15'-(2-methoxyphenyl)-2'H,7'H-dispiro[cyclopropane-1,5'-[10]oxa[16]thia[3,6,15]triazabicyclo[15.3.1]henicosa[1(21),12,17,19]tetraene-8',2''-[1,4]oxazinane]-2',7'-dione 16',16'-dioxid e

  • Molecular FormulaC28H33ClN4O7S
  • Average mass605.102 Da
  • Monoisotopic mass604.175842 Da
  • ChemSpider ID103723525

  • Double-bond stereo - Double-bond stereo

More details:

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

(12'Z)-20'-Chloro-15'-(2-methoxyphenyl)-2'H,7'H-dispiro[cyclopropane-1,5'-[10]oxa[16]thia[3,6,15]triazabicyclo[15.3.1]henicosa[1(21),12,17,19]tetraene-8',2''-[1,4]oxazinane]-2',7'-dione 16',16'-dioxid e [ACD/IUPAC Name]
Dispiro[cyclopropane-1,13'-[8]oxa[2]thia[3,12,15]triazabicyclo[15.3.1]heneicosa[1(21),5,17,19]tetraene-10',2''-morpholine]-11',16'-dione, 18'-chloro-3'-(2-methoxyphenyl)-, 2',2'-dioxide, (5'Z)- [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: 1.656
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.57
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.09
ACD/KOC (pH 7.4): 62.81
Polar Surface Area: 144 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 417.4±5.0 cm3

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