ChemSpider 2D Image | N'-[4-(4-{[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]carbonyl}-1-piperazinyl)phenyl]-2-thiophenecarboximidamide | C29H34N4O3S

N'-[4-(4-{[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]carbonyl}-1-piperazinyl)phenyl]-2-thiophenecarboximidamide

  • Molecular FormulaC29H34N4O3S
  • Average mass518.670 Da
  • Monoisotopic mass518.235168 Da
  • ChemSpider ID5293616

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

214348-10-4 [RN]
2-Thiophenecarboximidamide, N'-[4-[4-[[(2S)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl]carbonyl]-1-piperazinyl]phenyl]- [ACD/Index Name]
N'-[4-(4-{[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]carbonyl}-1-piperazinyl)phenyl]-2-thiophencarboximidamid [German] [ACD/IUPAC Name]
N'-[4-(4-{[(2S)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]carbonyl}-1-piperazinyl)phenyl]-2-thiophenecarboximidamide [ACD/IUPAC Name]
N'-[4-(4-{[(2S)-6-Hydroxy-2,5,7,8-tétraméthyl-3,4-dihydro-2H-chromén-2-yl]carbonyl}-1-pipérazinyl)phényl]-2-thiophènecarboximidamide [French] [ACD/IUPAC Name]

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

98L2F93VSI [DBID]
BN-80933 [DBID]
UNII:98L2F93VSI [DBID]
UNII-98L2F93VSI [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 766.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 417.1±35.7 °C
Index of Refraction: 1.663
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 97.73
ACD/KOC (pH 5.5): 500.71
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 766.55
ACD/KOC (pH 7.4): 3927.25
Polar Surface Area: 120 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 396.8±7.0 cm3

Click to predict properties on the Chemicalize site


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