ChemSpider 2D Image | A-85783 | C29H23FN4O2S

A-85783

  • Molecular FormulaC29H23FN4O2S
  • Average mass510.582 Da
  • Monoisotopic mass510.152588 Da
  • ChemSpider ID8133606

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-6-(4-Fluorophenyl)-N,N-dimethyl-3-[3-(3-pyridinyl)-1H,3H-pyrrolo[1,2-c]thiazol-7-yl]carbonyl-1H-indole-1-carboxamide
161395-33-1 [RN]
1H-Indole-1-carboxamide, 6-(4-fluorophenyl)-N,N-dimethyl-3-[[(3R)-3-(3-pyridinyl)-1H,3H-pyrrolo[1,2-c]thiazol-7-yl]carbonyl]- [ACD/Index Name]
6-(4-Fluorophenyl)-N,N-dimethyl-3-{[(3R)-3-(3-pyridinyl)-1H-pyrrolo[1,2-c][1,3]thiazol-7-yl]carbonyl}-1H-indole-1-carboxamide [ACD/IUPAC Name]
6-(4-Fluorophényl)-N,N-diméthyl-3-{[(3R)-3-(3-pyridinyl)-1H-pyrrolo[1,2-c][1,3]thiazol-7-yl]carbonyl}-1H-indole-1-carboxamide [French] [ACD/IUPAC Name]
6-(4-fluorophenyl)-N,N-dimethyl-3-{[(3R)-3-(pyridin-3-yl)-1H-pyrrolo[1,2-c][1,3]thiazol-7-yl]carbonyl}-1H-indole-1-carboxamide
6-(4-Fluorphenyl)-N,N-dimethyl-3-{[(3R)-3-(3-pyridinyl)-1H-pyrrolo[1,2-c][1,3]thiazol-7-yl]carbonyl}-1H-indol-1-carboxamid [German] [ACD/IUPAC Name]
A-85783
MFCD00935061
1H-Indole-1-carboxamide,6-(4-fluorophenyl)-N,N-dimethyl-3-[[(3R)-3-(3-pyridinyl)-1H,3H-pyrrolo[1,2-c]thiazol-7-yl]carbonyl]-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

OCS3J46F47 [DBID]
UNII:OCS3J46F47 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.3±35.7 °C
Index of Refraction: 1.699
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1503.19
ACD/KOC (pH 5.5): 6510.18
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1528.80
ACD/KOC (pH 7.4): 6621.09
Polar Surface Area: 85 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 375.0±7.0 cm3

Click to predict properties on the Chemicalize site


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