ChemSpider 2D Image | (3R,5S)-5-((S)-8-Fluoro-4-isopropyl-2-(N-methylmethylsulfonamido)-5,6-dihydrobenzo[h]quinazolin-6-yl)-3,5-dihydroxypentanoic acid | C22H28FN3O6S

(3R,5S)-5-((S)-8-Fluoro-4-isopropyl-2-(N-methylmethylsulfonamido)-5,6-dihydrobenzo[h]quinazolin-6-yl)-3,5-dihydroxypentanoic acid

  • Molecular FormulaC22H28FN3O6S
  • Average mass481.538 Da
  • Monoisotopic mass481.168274 Da
  • ChemSpider ID57373047

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,5S)-5-((S)-8-Fluoro-4-isopropyl-2-(N-methylmethylsulfonamido)-5,6-dihydrobenzo[h]quinazolin-6-yl)-3,5-dihydroxypentanoic acid
(3R,5S)-5-{(6S)-8-Fluor-4-isopropyl-2-[methyl(methylsulfonyl)amino]-5,6-dihydrobenzo[h]chinazolin-6-yl}-3,5-dihydroxypentansäure [German] [ACD/IUPAC Name]
(3R,5S)-5-{(6S)-8-Fluoro-4-isopropyl-2-[methyl(methylsulfonyl)amino]-5,6-dihydrobenzo[h]quinazolin-6-yl}-3,5-dihydroxypentanoic acid [ACD/IUPAC Name]
854898-53-6 [RN]
Acide (3R,5S)-5-{(6S)-8-fluoro-4-isopropyl-2-[méthyl(méthylsulfonyl)amino]-5,6-dihydrobenzo[h]quinazolin-6-yl}-3,5-dihydroxypentanoïque [French] [ACD/IUPAC Name]
Benzo[h]quinazoline-6-pentanoic acid, 8-fluoro-5,6-dihydro-β,δ-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, (βR,δS,6S)- [ACD/Index Name]
(3R,5S)-5-[(6S)-8-fluoro-2-(N-methylmethanesulfonamido)-4-(propan-2-yl)-5H,6H-benzo[h]quinazolin-6-yl]-3,5-dihydroxypentanoic acid
(3R,5S)-5-[(6S)-8-fluoro-4-isopropyl-2-(N-methylmethanesulfonamido)-5H,6H-benzo[h]quinazolin-6-yl]-3,5-dihydroxypentanoic acid
854898-50-3 [RN]
8-fluoro-5,6-dihydro-?,?-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-, (?R,?S,6S)-Benzo[h]quinazoline-6-pentanoic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 719.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 388.8±35.7 °C
Index of Refraction: 1.609
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.40
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 341.0±3.0 cm3

Click to predict properties on the Chemicalize site


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