Found 25 results

Search term: MF = 'C_{32}H_{45}N_{5}O_{3}S'
ChemSpider 2D Image | N-{(4S,4aS,5S,6S,8aS)-6-[(2S)-1-(Cyclopropylamino)-1-oxo-2-propanyl]-5-hydroxy-4,8a-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-[(4-methyl-1-piperazinyl)methyl]benzamide | C32H45N5O3S

N-{(4S,4aS,5S,6S,8aS)-6-[(2S)-1-(Cyclopropylamino)-1-oxo-2-propanyl]-5-hydroxy-4,8a-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-[(4-methyl-1-piperazinyl)methyl]benzamide

  • Molecular FormulaC32H45N5O3S
  • Average mass579.796 Da
  • Monoisotopic mass579.324280 Da
  • ChemSpider ID10057040

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

N-{(4S,4aS,5S,6S,8aS)-6-[(2S)-1-(Cyclopropylamino)-1-oxo-2-propanyl]-5-hydroxy-4,8a-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-[(4-methyl-1-piperazinyl)methyl]benzamid [German] [ACD/IUPAC Name]
N-{(4S,4aS,5S,6S,8aS)-6-[(2S)-1-(Cyclopropylamino)-1-oxo-2-propanyl]-5-hydroxy-4,8a-dimethyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}-4-[(4-methyl-1-piperazinyl)methyl]benzamide [ACD/IUPAC Name]
N-{(4S,4aS,5S,6S,8aS)-6-[(2S)-1-(Cyclopropylamino)-1-oxo-2-propanyl]-5-hydroxy-4,8a-diméthyl-4,4a,5,6,7,8,8a,9-octahydronaphto[2,3-d][1,3]thiazol-2-yl}-4-[(4-méthyl-1-pipérazinyl)méthyl]benzamide [French] [ACD/IUPAC Name]
Naphtho[2,3-d]thiazole-6-acetamide, N-cyclopropyl-4,4a,5,6,7,8,8a,9-octahydro-5-hydroxy-α,4,8a-trimethyl-2-[[4-[(4-methyl-1-piperazinyl)methyl]benzoyl]amino]-, (αS,4S,4aS,5S,6S,8aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 162.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 14.24
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 35.71
ACD/KOC (pH 7.4): 275.01
Polar Surface Area: 126 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 452.5±5.0 cm3

Click to predict properties on the Chemicalize site


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