Found 17 results

Search term: MF = 'C_{29}H_{40}N_{8}O_{3}S'
ChemSpider 2D Image | 2-{[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-{2-[3-(1-piperidinyl)propoxy]phenyl}methylene]acetohydrazide | C29H40N8O3S

2-{[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-{2-[3-(1-piperidinyl)propoxy]phenyl}methylene]acetohydrazide

  • Molecular FormulaC29H40N8O3S
  • Average mass580.745 Da
  • Monoisotopic mass580.294434 Da
  • ChemSpider ID81869137

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-{2-[3-(1-piperidinyl)propoxy]phenyl}methylen]acetohydrazid [German] [ACD/IUPAC Name]
2-{[5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-{2-[3-(1-piperidinyl)propoxy]phenyl}methylene]acetohydrazide [ACD/IUPAC Name]
2-{[5-(1,5-Diméthyl-1H-pyrazol-3-yl)-4-(tétrahydro-2-furanylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-{2-[3-(1-pipéridinyl)propoxy]phényl}méthylène]acétohydrazide [French] [ACD/IUPAC Name]
Acetic acid, 2-[[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-[2-[3-(1-piperidinyl)propoxy]phenyl]methylene]hydrazide [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: 1.666
Molar Refractivity: 161.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.04
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 14.60
Polar Surface Area: 137 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 435.0±7.0 cm3

Click to predict properties on the Chemicalize site


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