ChemSpider 2D Image | (4S,9S,16Z)-19-(2-Chlorophenyl)-2H,11H-spiro[7,14-dioxa-20-thia-3,10,19-triazatricyclo[19.3.1.0~4,9~]pentacosa-1(25),16,21,23-tetraene-12,2'-[1,4]oxazinane]-2,11-dione 20,20-dioxide | C28H33ClN4O7S

(4S,9S,16Z)-19-(2-Chlorophenyl)-2H,11H-spiro[7,14-dioxa-20-thia-3,10,19-triazatricyclo[19.3.1.04,9]pentacosa-1(25),16,21,23-tetraene-12,2'-[1,4]oxazinane]-2,11-dione 20,20-dioxide

  • Molecular FormulaC28H33ClN4O7S
  • Average mass605.102 Da
  • Monoisotopic mass604.175842 Da
  • ChemSpider ID103736868

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4S,9S,16Z)-19-(2-Chlorophenyl)-2H,11H-spiro[7,14-dioxa-20-thia-3,10,19-triazatricyclo[19.3.1.04,9]pentacosa-1(25),16,21,23-tetraene-12,2'-[1,4]oxazinane]-2,11-dione 20,20-dioxide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.653
Molar Refractivity: 153.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.37
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 2.41
ACD/KOC (pH 7.4): 53.15
Polar Surface Area: 144 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 418.6±5.0 cm3

Click to predict properties on the Chemicalize site


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