Found 1 result

Search term: OKFYOOFXVBCIIP-LJQANCHMSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-4-[1-(2-Amino-5-chloro-4-pyrimidinyl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)-3-butyn-2-ol | C19H16ClN5OS

(2R)-4-[1-(2-Amino-5-chloro-4-pyrimidinyl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)-3-butyn-2-ol

  • Molecular FormulaC19H16ClN5OS
  • Average mass397.881 Da
  • Monoisotopic mass397.076416 Da
  • ChemSpider ID35033488

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-4-[1-(2-Amino-5-chlor-4-pyrimidinyl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)-3-butin-2-ol [German] [ACD/IUPAC Name]
(2R)-4-[1-(2-Amino-5-chloro-4-pyrimidinyl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)-3-butyn-2-ol [ACD/IUPAC Name]
(2R)-4-[1-(2-Amino-5-chloro-4-pyrimidinyl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)-3-butyn-2-ol [French] [ACD/IUPAC Name]
(2r)-4-[1-(2-Amino-5-Chloropyrimidin-4-Yl)-2,3-Dihydro-1h-Indol-6-Yl]-2-(1,3-Thiazol-2-Yl)but-3-Yn-2-Ol
2-Thiazolemethanol, α-[2-[1-(2-amino-5-chloro-4-pyrimidinyl)-2,3-dihydro-1H-indol-6-yl]ethynyl]-α-methyl-, (αR)- [ACD/Index Name]
0WC

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

Density: 1.5±0.1 g/cm3
Boiling Point: 644.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.5±34.3 °C
Index of Refraction: 1.750
Molar Refractivity: 105.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 132.49
ACD/KOC (pH 5.5): 1100.70
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.11
ACD/KOC (pH 7.4): 1280.33
Polar Surface Area: 116 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 97.5±5.0 dyne/cm
Molar Volume: 258.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement