Found 1 result

Search term: CN1c2ccc(NCc3ccc(cc3)C(C)(C)C)cc2-c2c(cnn2C)S1(=O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | compound 30 [PMID: 23414845] | C22H26N4O2S

compound 30 [PMID: 23414845]

  • Molecular FormulaC22H26N4O2S
  • Average mass410.532 Da
  • Monoisotopic mass410.177643 Da
  • ChemSpider ID29417437

More details:

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

1,5-Dimethyl-N-[4-(2-methyl-2-propanyl)benzyl]-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amin-4,4-dioxid [German] [ACD/IUPAC Name]
1,5-Dimethyl-N-[4-(2-methyl-2-propanyl)benzyl]-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide [ACD/IUPAC Name]
4,4-Dioxyde de 1,5-diméthyl-N-[4-(2-méthyl-2-propanyl)benzyl]-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine [French] [ACD/IUPAC Name]
compound 30 [PMID: 23414845]
Pyrazolo[4,3-c][2,1]benzothiazin-8-amine, N-[[4-(1,1-dimethylethyl)phenyl]methyl]-1,5-dihydro-1,5-dimethyl-, 4,4-dioxide [ACD/Index Name]
1BR
compound 30 [PMID 23414845]
N-(4-Tert-Butylbenzyl)-1,5-Dimethyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazin-8-Amine 4,4-Dioxide
N-[(4-tert-butylphenyl)methyl]-1,5-dimethyl-4,4-dioxopyrazolo[4,3-c][2,1]benzothiazin-8-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 631.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 336.0±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 117.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 255.64
ACD/KOC (pH 5.5): 1840.31
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 255.85
ACD/KOC (pH 7.4): 1841.78
Polar Surface Area: 76 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 324.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement