Found 5 results

Search term: MF = 'C_{29}H_{28}N_{8}O_{2}S_{2}'
ChemSpider 2D Image | 2-[(6-{[4-Anilino-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide | C29H28N8O2S2

2-[(6-{[4-Anilino-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

  • Molecular FormulaC29H28N8O2S2
  • Average mass584.715 Da
  • Monoisotopic mass584.177673 Da
  • ChemSpider ID22474556

More details:

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

2-[(6-{[4-Anilino-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(6-{[4-Anilino-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide [ACD/IUPAC Name]
2-[(6-{[4-Anilino-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, N-(4-methoxyphenyl)-2-[[6-[[4-(phenylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]-2-benzothiazolyl]thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.745
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.35
ACD/BCF (pH 5.5): 1180.74
ACD/KOC (pH 5.5): 5429.99
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1234.51
ACD/KOC (pH 7.4): 5677.28
Polar Surface Area: 171 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 87.9±5.0 dyne/cm
Molar Volume: 401.7±5.0 cm3

Click to predict properties on the Chemicalize site


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