Found 1 result

Search term: XDAKTDQGVCHONK-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-(5-{[2-(1,3-Benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)benzoic acid | C18H13N5O3S2

2-(5-{[2-(1,3-Benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)benzoic acid

  • Molecular FormulaC18H13N5O3S2
  • Average mass411.457 Da
  • Monoisotopic mass411.045990 Da
  • ChemSpider ID58981428

More details:

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

2-(5-{[2-(1,3-Benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)benzoesäure [German] [ACD/IUPAC Name]
2-(5-{[2-(1,3-Benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)benzoic acid [ACD/IUPAC Name]
Acide 2-(5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoéthyl]sulfanyl}-4H-1,2,4-triazol-3-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[5-[[2-(2-benzothiazolylamino)-2-oxoethyl]thio]-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
2-[5-[2-(1,3-Benzothiazol-2-Ylamino)-2-Oxidanylidene-Ethyl]sulfanyl-4~{h}-1,2,4-Triazol-3-Yl]benzoic Acid

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

752 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.785
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.71
ACD/KOC (pH 5.5): 13.47
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 107.6±5.0 dyne/cm
Molar Volume: 252.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement