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Search term: QBHUGPKPNMGAOH-IBGZPJMESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3S)-N-[4-(Difluoromethoxy)phenyl]-3-ethyl-3-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamide | C19H19F2N3O5S

(3S)-N-[4-(Difluoromethoxy)phenyl]-3-ethyl-3-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamide

  • Molecular FormulaC19H19F2N3O5S
  • Average mass439.433 Da
  • Monoisotopic mass439.101349 Da
  • ChemSpider ID30816849

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-N-[4-(Difluormethoxy)phenyl]-3-ethyl-3-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-sulfonamid [German] [ACD/IUPAC Name]
(3S)-N-[4-(Difluoromethoxy)phenyl]-3-ethyl-3-methyl-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-sulfonamide [ACD/IUPAC Name]
(3S)-N-[4-(Difluorométhoxy)phényl]-3-éthyl-3-méthyl-2,5-dioxo-2,3,4,5-tétrahydro-1H-1,4-benzodiazépine-7-sulfonamide [French] [ACD/IUPAC Name]
1H-1,4-Benzodiazepine-7-sulfonamide, N-[4-(difluoromethoxy)phenyl]-3-ethyl-2,3,4,5-tetrahydro-3-methyl-2,5-dioxo-, (3S)- [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: 1.563
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.98
ACD/KOC (pH 5.5): 263.93
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 13.35
ACD/KOC (pH 7.4): 207.52
Polar Surface Area: 122 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 319.4±3.0 cm3

Click to predict properties on the Chemicalize site


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