Found 7 results

Search term: MF = 'C_{27}H_{30}ClF_{2}N_{3}O_{5}S'
ChemSpider 2D Image | (5R,6S,11E)-19-Chloro-5-(difluoromethyl)-14-(2-methoxyphenyl)-9,9-dimethyl-15-thia-3,7,14-triazatricyclo[14.3.1.1~3,6~]henicosa-1(20),11,16,18-tetraene-2,8-dione 15,15-dioxide | C27H30ClF2N3O5S

(5R,6S,11E)-19-Chloro-5-(difluoromethyl)-14-(2-methoxyphenyl)-9,9-dimethyl-15-thia-3,7,14-triazatricyclo[14.3.1.13,6]henicosa-1(20),11,16,18-tetraene-2,8-dione 15,15-dioxide

  • Molecular FormulaC27H30ClF2N3O5S
  • Average mass582.059 Da
  • Monoisotopic mass581.156250 Da
  • ChemSpider ID108703026

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5R,6S,11E) 15,15-Dioxyde de 19-chloro-5-(difluorométhyl)-14-(2-méthoxyphényl)-9,9-diméthyl-15-thia-3,7,14-triazatricyclo[14.3.1.13,6]hénicosa-1(20),11,16,18-tétraène-2,8-dione [French] [ACD/IUPAC Name]
(5R,6S,11E)-19-Chlor-5-(difluormethyl)-14-(2-methoxyphenyl)-9,9-dimethyl-15-thia-3,7,14-triazatricyclo[14.3.1.13,6]henicosa-1(20),11,16,18-tetraen-2,8-dion-15,15-dioxid [German] [ACD/IUPAC Name]
(5R,6S,11E)-19-Chloro-5-(difluoromethyl)-14-(2-methoxyphenyl)-9,9-dimethyl-15-thia-3,7,14-triazatricyclo[14.3.1.13,6]henicosa-1(20),11,16,18-tetraene-2,8-dione 15,15-dioxide [ACD/IUPAC Name]
15-Thia-3,7,14-triazatricyclo[14.3.1.13,6]heneicosa-1(20),11,16,18-tetraene-2,8-dione, 19-chloro-5-(difluoromethyl)-14-(2-methoxyphenyl)-9,9-dimethyl-, 15,15-dioxide, (5R,6S,11E)- [ACD/Index 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: 1.618
Molar Refractivity: 144.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.71
ACD/KOC (pH 5.5): 1218.80
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.71
ACD/KOC (pH 7.4): 1218.80
Polar Surface Area: 104 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 410.8±5.0 cm3

Click to predict properties on the Chemicalize site


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