Found 1 result

Search term: SZUBSUMMJMHMJF-DEOSSOPVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-{1-[{7-[2-({[3-(Dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]-4-piperidinyl}(phenyl)acetonitrile | C33H39N7O3S

(2R)-{1-[{7-[2-({[3-(Dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]-4-piperidinyl}(phenyl)acetonitrile

  • Molecular FormulaC33H39N7O3S
  • Average mass613.773 Da
  • Monoisotopic mass613.283508 Da
  • ChemSpider ID129233744

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-[1-(2-{7-[2-({[3-(Diméthylamino)propyl](méthyl)amino}méthyl)-1,3-thiazol-4-yl]-4-méthoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}-2-oxoacétyl)-4-pipéridinyl](phényl)acétonitrile [French] [ACD/IUPAC Name]
(2R)-{1-[{7-[2-({[3-(Dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]-4-piperidinyl}(phenyl)acetonitril [German] [ACD/IUPAC Name]
(2R)-{1-[{7-[2-({[3-(Dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]-4-piperidinyl}(phenyl)acetonitrile [ACD/IUPAC Name]
4-Piperidineacetonitrile, 1-[2-[7-[2-[[[3-(dimethylamino)propyl]methylamino]methyl]-4-thiazolyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-α-phenyl-, (αR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 790.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 431.6±35.7 °C
Index of Refraction: 1.632
Molar Refractivity: 172.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 9.12
Polar Surface Area: 147 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 484.6±3.0 cm3

Click to predict properties on the Chemicalize site


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