ChemSpider 2D Image | (3S)-1-[2-(Pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]-3-pyrrolidinamine | C21H18N8S

(3S)-1-[2-(Pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]-3-pyrrolidinamine

  • Molecular FormulaC21H18N8S
  • Average mass414.486 Da
  • Monoisotopic mass414.137512 Da
  • ChemSpider ID35034085

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-[2-(Pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]-3-pyrrolidinamin [German] [ACD/IUPAC Name]
(3S)-1-[2-(Pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]-3-pyrrolidinamine [ACD/IUPAC Name]
(3S)-1-[2-(Pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]-3-pyrrolidinamine [French] [ACD/IUPAC Name]
(3s)-1-[2-(Pyrido[2,3-B]pyrazin-7-Ylsulfanyl)-9h-Pyrimido[4,5-B]indol-4-Yl]pyrrolidin-3-Amine
3-Pyrrolidinamine, 1-[2-(pyrido[2,3-b]pyrazin-7-ylthio)-9H-pyrimido[4,5-b]indol-4-yl]-, (3S)- [ACD/Index Name]
MJU

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

Density: 1.6±0.1 g/cm3
Boiling Point: 760.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 413.7±35.7 °C
Index of Refraction: 1.857
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.70
Polar Surface Area: 135 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 114.5±5.0 dyne/cm
Molar Volume: 264.9±5.0 cm3

Click to predict properties on the Chemicalize site


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