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Search term: UJEHPOIYQOLYRD-ZDUSSCGKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-1-(methylamino)-2-butanol | C17H19F2N3O3S

(2S)-4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-1-(methylamino)-2-butanol

  • Molecular FormulaC17H19F2N3O3S
  • Average mass383.413 Da
  • Monoisotopic mass383.111511 Da
  • ChemSpider ID24662683

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-1-(methylamino)-2-butanol [ACD/IUPAC Name]
(2S)-4-[3-(2,5-Difluorophényl)-2,2-dioxydo-2,1,3-benzothiadiazol-1(3H)-yl]-1-(méthylamino)-2-butanol [French] [ACD/IUPAC Name]
(2S)-4-[3-(2,5-Difluorphenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-1-(methylamino)-2-butanol [German] [ACD/IUPAC Name]
2,1,3-Benzothiadiazole-1(3H)-propanol, 3-(2,5-difluorophenyl)-α-[(methylamino)methyl]-, 2,2-dioxide, (αS)- [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: 560.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.7±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 94.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.45
Polar Surface Area: 81 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 273.6±3.0 cm3

Click to predict properties on the Chemicalize site


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