Found 2 results

Search term: SDPIVVMDWSZLEH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6S)-2-Amino-N-(2-chloro-5-nitrophenyl)-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C19H22ClN3O3S

(6S)-2-Amino-N-(2-chloro-5-nitrophenyl)-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC19H22ClN3O3S
  • Average mass407.914 Da
  • Monoisotopic mass407.107025 Da
  • ChemSpider ID98606848

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-2-Amino-N-(2-chlor-5-nitrophenyl)-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
(6S)-2-Amino-N-(2-chloro-5-nitrophenyl)-6-(2-methyl-2-propanyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
(6S)-2-Amino-N-(2-chloro-5-nitrophényl)-6-(2-méthyl-2-propanyl)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxamide, 2-amino-N-(2-chloro-5-nitrophenyl)-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-, (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: 524.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.8±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15296.37
ACD/KOC (pH 5.5): 34428.32
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15295.18
ACD/KOC (pH 7.4): 34425.63
Polar Surface Area: 129 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 296.9±3.0 cm3

Click to predict properties on the Chemicalize site


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