Found 1323 results

Search term: MF = 'C_{19}H_{17}ClN_{4}O_{2}S'
ChemSpider 2D Image | (+)-JQ1 (free acid) | C19H17ClN4O2S

(+)-JQ1 (free acid)

  • Molecular FormulaC19H17ClN4O2S
  • Average mass400.882 Da
  • Monoisotopic mass400.076080 Da
  • ChemSpider ID57582702

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-JQ1 (free acid)
[(6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid [ACD/IUPAC Name]
[(6S)-4-(4-Chlorphenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]essigsäure [German] [ACD/IUPAC Name]
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0²,?]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acid
202592-23-2 [RN]
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-trimethyl-, (6S)- [ACD/Index Name]
Acide [(6S)-4-(4-chlorophényl)-2,3,9-triméthyl-6H-thiéno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazépin-6-yl]acétique [French] [ACD/IUPAC Name]
(+)-JQ1 carboxylic acid
(+)-JQ-1 carboxylic acid
(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid
More...
  • Experimental Physico-chemical Properties

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

Density: 1.5±0.1 g/cm3
Boiling Point: 661.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 353.9±34.3 °C
Index of Refraction: 1.737
Molar Refractivity: 106.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 5.67
ACD/KOC (pH 5.5): 52.77
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 265.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement