ChemSpider 2D Image | (12Z)-5-Chloro-10-(2-methoxyphenyl)-3H-spiro[20-oxa-9-thia-2,10,17-triazatricyclo[15.4.1.1~4,8~]tricosa-4(23),5,7,12-tetraene-15,2'-[1,4]oxazinane]-3,16-dione 9,9-dioxide | C28H33ClN4O7S

(12Z)-5-Chloro-10-(2-methoxyphenyl)-3H-spiro[20-oxa-9-thia-2,10,17-triazatricyclo[15.4.1.14,8]tricosa-4(23),5,7,12-tetraene-15,2'-[1,4]oxazinane]-3,16-dione 9,9-dioxide

  • Molecular FormulaC28H33ClN4O7S
  • Average mass605.102 Da
  • Monoisotopic mass604.175842 Da
  • ChemSpider ID104742654

  • Double-bond stereo - Double-bond stereo

More details:

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

(12Z)-5-Chloro-10-(2-methoxyphenyl)-3H-spiro[20-oxa-9-thia-2,10,17-triazatricyclo[15.4.1.14,8]tricosa-4(23),5,7,12-tetraene-15,2'-[1,4]oxazinane]-3,16-dione 9,9-dioxide [ACD/IUPAC Name]
Spiro[morpholine-2,15'-[20]oxa[9]thia[2,10,17]triazatricyclo[15.4.1.14,8]tricosa[4,6,8(23),12]tetraene]-3',16'-dione, 5'-chloro-10'-(2-methoxyphenyl)-, 9',9'-dioxide, (12'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: 1.659
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: 0.07
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 30.70
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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