ChemSpider 2D Image | (10S)-3,3-Dimethyl-8-{[(2S)-2-(phenoxymethyl)-1-pyrrolidinyl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol | C24H29N3O4S

(10S)-3,3-Dimethyl-8-{[(2S)-2-(phenoxymethyl)-1-pyrrolidinyl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol

  • Molecular FormulaC24H29N3O4S
  • Average mass455.570 Da
  • Monoisotopic mass455.187866 Da
  • ChemSpider ID25056983

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(10S)-3,3-Dimethyl-8-{[(2S)-2-(phenoxymethyl)-1-pyrrolidinyl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol [ACD/IUPAC Name]
(10S)-3,3-Dimethyl-8-{[(2S)-2-(phenoxymethyl)-1-pyrrolidinyl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol [German] [ACD/IUPAC Name]
(10S)-3,3-Diméthyl-8-{[(2S)-2-(phénoxyméthyl)-1-pyrrolidinyl]sulfonyl}-2,3,4,10-tétrahydropyrimido[1,2-a]indol-10-ol [French] [ACD/IUPAC Name]
(10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol
Pyrimido[1,2-a]indol-10-ol, 2,3,4,10-tetrahydro-3,3-dimethyl-8-[[(2S)-2-(phenoxymethyl)-1-pyrrolidinyl]sulfonyl]-, (10S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 620.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.2±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 123.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.21
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 16.52
Polar Surface Area: 91 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 330.0±7.0 cm3

Click to predict properties on the Chemicalize site


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