ChemSpider 2D Image | [(7R)-7-{[(4-Fluorophenyl)sulfonyl][(~3~H_3_)methyl]amino}-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid | C21H18T3FN2O4S

[(7R)-7-{[(4-Fluorophenyl)sulfonyl][(3H3)methyl]amino}-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid

  • Molecular FormulaC21H18T3FN2O4S
  • Average mass422.490 Da
  • Monoisotopic mass422.145264 Da
  • ChemSpider ID28514485

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

[(7R)-7-{[(4-Fluorophenyl)sulfonyl][(3H3)methyl]amino}-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid [ACD/IUPAC Name]
[(7R)-7-{[(4-Fluorphenyl)sulfonyl][(3H3)methyl]amino}-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]essigsäure [German] [ACD/IUPAC Name]
Acide [(7R)-7-{[(4-fluorophényl)sulfonyl][(3H3)méthyl]amino}-6,7,8,9-tétrahydropyrido[1,2-a]indol-10-yl]acétique [French] [ACD/IUPAC Name]
Pyrido[1,2-a]indole-10-acetic acid, 7-[[(4-fluorophenyl)sulfonyl]methyl-t3-amino]-6,7,8,9-tetrahydro-, (7R)- [ACD/Index Name]

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

Density:
Boiling Point: 636.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 338.7±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 51.26
ACD/KOC (pH 5.5): 294.96
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.65
Polar Surface Area: 88 Å2
Polarizability:
Surface Tension:
Molar Volume:

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