Found 7 results

Search term: MF = 'C_{27}H_{30}ClF_{2}N_{3}O_{5}S'
ChemSpider 2D Image | (5S,7S,15E)-21-Chloro-5-fluoro-18-(4-fluorophenyl)-9,11-dimethyl-12-oxa-19-thia-3,9,18-triazatricyclo[18.3.1.0~3,7~]tetracosa-1(24),15,20,22-tetraene-2,10-dione 19,19-dioxide | C27H30ClF2N3O5S

(5S,7S,15E)-21-Chloro-5-fluoro-18-(4-fluorophenyl)-9,11-dimethyl-12-oxa-19-thia-3,9,18-triazatricyclo[18.3.1.03,7]tetracosa-1(24),15,20,22-tetraene-2,10-dione 19,19-dioxide

  • Molecular FormulaC27H30ClF2N3O5S
  • Average mass582.059 Da
  • Monoisotopic mass581.156250 Da
  • ChemSpider ID104830341

  • 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

(5S,7S,15E) 19,19-Dioxyde de 21-chloro-5-fluoro-18-(4-fluorophényl)-9,11-diméthyl-12-oxa-19-thia-3,9,18-triazatricyclo[18.3.1.03,7]tétracosa-1(24),15,20,22-tétraène-2,10-dione [French] [ACD/IUPAC Name]
(5S,7S,15E)-21-Chlor-5-fluor-18-(4-fluorphenyl)-9,11-dimethyl-12-oxa-19-thia-3,9,18-triazatricyclo[18.3.1.03,7]tetracosa-1(24),15,20,22-tetraen-2,10-dion-19,19-dioxid [German] [ACD/IUPAC Name]
(5S,7S,15E)-21-Chloro-5-fluoro-18-(4-fluorophenyl)-9,11-dimethyl-12-oxa-19-thia-3,9,18-triazatricyclo[18.3.1.03,7]tetracosa-1(24),15,20,22-tetraene-2,10-dione 19,19-dioxide [ACD/IUPAC Name]
18H-17,13-Methenopyrrolo[2,1-f][1,14,4,7,15]oxathiatriazacycloeicosine-3,18(4H)-dione, 14-chloro-21-fluoro-11-(4-fluorophenyl)-1,2,6,7,10,11,20,21,22,22a-decahydro-2,4-dimethyl-, 12,12-dioxide, (8E,21 S,22aS)- [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: 761.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.2±35.7 °C
Index of Refraction: 1.622
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.19
ACD/KOC (pH 5.5): 515.50
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.19
ACD/KOC (pH 7.4): 515.50
Polar Surface Area: 96 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 409.2±5.0 cm3

Click to predict properties on the Chemicalize site


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