ChemSpider 2D Image | (3R,5S)-5-{[4-({3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}-3-pyrrolidinyl 4-morpholinecarboxylate | C30H27ClFN5O4S

(3R,5S)-5-{[4-({3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}-3-pyrrolidinyl 4-morpholinecarboxylate

  • Molecular FormulaC30H27ClFN5O4S
  • Average mass608.083 Da
  • Monoisotopic mass607.145630 Da
  • ChemSpider ID9459930

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-5-{[4-({3-Chlor-4-[(3-fluorbenzyl)oxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethinyl}-3-pyrrolidinyl-4-morpholincarboxylat [German] [ACD/IUPAC Name]
(3R,5S)-5-{[4-({3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}-3-pyrrolidinyl 4-morpholinecarboxylate [ACD/IUPAC Name]
4-Morpholinecarboxylate de (3R,5S)-5-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phényl}amino)thiéno[3,2-d]pyrimidin-6-yl]éthynyl}-3-pyrrolidinyle [French] [ACD/IUPAC Name]
4-Morpholinecarboxylic acid, (3R,5S)-5-[2-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]-3-pyrrolidinyl ester [ACD/Index Name]
(3R,5S)-5-((4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)thieno[3,2-d]pyrimidin-6-yl)ethynyl)pyrrolidin-3-yl morpholine-4-carboxylate
(3R,5S)-5-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate
(3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate
alkynyl thienopyrimidine, 15a
GW869810X

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

Density: 1.5±0.1 g/cm3
Boiling Point: 779.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 424.9±32.9 °C
Index of Refraction: 1.698
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 359.13
ACD/KOC (pH 5.5): 1026.05
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5638.24
ACD/KOC (pH 7.4): 16108.61
Polar Surface Area: 126 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 410.6±5.0 cm3

Click to predict properties on the Chemicalize site


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