ChemSpider 2D Image | 1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-{4-methyl-5-[4-(morpholine-4-sulfonyl)-phenyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-ethanone | C24H27N5O4S2

1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-{4-methyl-5-[4-(morpholine-4-sulfonyl)-phenyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-ethanone

  • Molecular FormulaC24H27N5O4S2
  • Average mass513.632 Da
  • Monoisotopic mass513.150452 Da
  • ChemSpider ID2425035

More details:

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

1-(2-Methyl-2,3-dihydro-1H-indol-1-yl)-2-({4-methyl-5-[4-(4-morpholinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanon [German] [ACD/IUPAC Name]
1-(2-Methyl-2,3-dihydro-1H-indol-1-yl)-2-({4-methyl-5-[4-(4-morpholinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone [ACD/IUPAC Name]
1-(2-Méthyl-2,3-dihydro-1H-indol-1-yl)-2-({4-méthyl-5-[4-(4-morpholinylsulfonyl)phényl]-4H-1,2,4-triazol-3-yl}sulfanyl)éthanone [French] [ACD/IUPAC Name]
1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-{4-methyl-5-[4-(morpholine-4-sulfonyl)-phenyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-ethanone
Ethanone, 1-(2,3-dihydro-2-methyl-1H-indol-1-yl)-2-[[4-methyl-5-[4-(4-morpholinylsulfonyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]

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

ASN 03578411 [DBID]
MLS000555131 [DBID]
SMR000170888 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 775.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 422.9±35.7 °C
Index of Refraction: 1.705
Molar Refractivity: 137.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 176.04
ACD/KOC (pH 5.5): 1409.32
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 176.05
ACD/KOC (pH 7.4): 1409.40
Polar Surface Area: 131 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 354.5±7.0 cm3

Click to predict properties on the Chemicalize site


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