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Search term: PDMCUTCDLHMYSW-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-Bromo-1-[4-(1H-tetrazol-5-yl)benzyl]-1'-(2-thienylsulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one | C24H21BrN6O3S2

5-Bromo-1-[4-(1H-tetrazol-5-yl)benzyl]-1'-(2-thienylsulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one

  • Molecular FormulaC24H21BrN6O3S2
  • Average mass585.496 Da
  • Monoisotopic mass584.029968 Da
  • ChemSpider ID61716469

More details:

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

5-Brom-1-[4-(1H-tetrazol-5-yl)benzyl]-1'-(2-thienylsulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-on [German] [ACD/IUPAC Name]
5-Bromo-1-[4-(1H-tetrazol-5-yl)benzyl]-1'-(2-thienylsulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one [ACD/IUPAC Name]
5-Bromo-1-[4-(1H-tétrazol-5-yl)benzyl]-1'-(2-thiénylsulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one [French] [ACD/IUPAC Name]
Spiro[3H-indole-3,4'-piperidin]-2(1H)-one, 5-bromo-1-[[4-(1H-tetrazol-5-yl)phenyl]methyl]-1'-(2-thienylsulfonyl)- [ACD/Index Name]
9NG
N-{2-[(3r)-5-Bromo-2-Oxo-1-{[4-(1h-Tetrazol-5-Yl)phenyl]methyl}-2,3-Dihydro-1h-Indol-3-Yl]ethyl}-N-Ethylthiophene-2-Sulfonamide

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

Density: 1.8±0.1 g/cm3
Boiling Point: 858.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 473.2±37.1 °C
Index of Refraction: 1.770
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 41.47
ACD/KOC (pH 5.5): 218.57
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 8.11
ACD/KOC (pH 7.4): 42.74
Polar Surface Area: 149 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 101.0±5.0 dyne/cm
Molar Volume: 334.6±5.0 cm3

Click to predict properties on the Chemicalize site


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