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Search term: NXWXUDHOUKWAQU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4-Hydroxy-1-piperidinyl){trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexyl}methanone | C28H37N5O5S

(4-Hydroxy-1-piperidinyl){trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexyl}methanone

  • Molecular FormulaC28H37N5O5S
  • Average mass555.689 Da
  • Monoisotopic mass555.251526 Da
  • ChemSpider ID30834573

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4-Hydroxy-1-piperidinyl){trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexyl}methanon [German] [ACD/IUPAC Name]
(4-Hydroxy-1-piperidinyl){trans-4-[(4-{4-[3-(methylsulfonyl)propoxy]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexyl}methanone [ACD/IUPAC Name]
(4-Hydroxy-1-pipéridinyl){trans-4-[(4-{4-[3-(méthylsulfonyl)propoxy]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (4-hydroxy-1-piperidinyl)[trans-4-[[4-[4-[3-(methylsulfonyl)propoxy]-1H-indol-1-yl]-2-pyrimidinyl]amino]cyclohexyl]- [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: 805.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 440.8±37.1 °C
Index of Refraction: 1.673
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.72
ACD/KOC (pH 5.5): 412.18
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 32.03
ACD/KOC (pH 7.4): 416.17
Polar Surface Area: 135 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 396.2±7.0 cm3

Click to predict properties on the Chemicalize site


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