Found 542 results

Search term: MF = 'C_{29}H_{35}FN_{4}O_{5}'
ChemSpider 2D Image | (6S)-3-[(S)-[(2S)-4-Benzyl-3-oxo-2-piperazinyl](hydroxy)methyl]-17-fluoro-14-oxa-4,9-diazatricyclo[13.3.1.1~6,9~]icosa-1(19),15,17-triene-5,8-dione | C29H35FN4O5

(6S)-3-[(S)-[(2S)-4-Benzyl-3-oxo-2-piperazinyl](hydroxy)methyl]-17-fluoro-14-oxa-4,9-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triene-5,8-dione

  • Molecular FormulaC29H35FN4O5
  • Average mass538.610 Da
  • Monoisotopic mass538.259155 Da
  • ChemSpider ID9737661

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(6S)-3-[(S)-[(2S)-4-Benzyl-3-oxo-2-piperazinyl](hydroxy)methyl]-17-fluor-14-oxa-4,9-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-trien-5,8-dion [German] [ACD/IUPAC Name]
(6S)-3-[(S)-[(2S)-4-Benzyl-3-oxo-2-piperazinyl](hydroxy)methyl]-17-fluoro-14-oxa-4,9-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triene-5,8-dione [ACD/IUPAC Name]
(6S)-3-[(S)-[(2S)-4-Benzyl-3-oxo-2-pipérazinyl](hydroxy)méthyl]-17-fluoro-14-oxa-4,9-diazatricyclo[13.3.1.16,9]icosa-1(19),15,17-triène-5,8-dione [French] [ACD/IUPAC Name]
14-Oxa-4,9-diazatricyclo[13.3.1.16,9]eicosa-1(19),15,17-triene-5,8-dione, 17-fluoro-3-[(S)-hydroxy[(2S)-3-oxo-4-(phenylmethyl)-2-piperazinyl]methyl]-, (6S)- [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: 838.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 461.0±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 2.43
ACD/KOC (pH 5.5): 42.31
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 10.98
ACD/KOC (pH 7.4): 190.94
Polar Surface Area: 111 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 398.0±5.0 cm3

Click to predict properties on the Chemicalize site


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