ChemSpider 2D Image | [4-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl][1-(2-thienylsulfonyl)-2-pyrrolidinyl]methanone | C22H26N4O5S3

[4-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl][1-(2-thienylsulfonyl)-2-pyrrolidinyl]methanone

  • Molecular FormulaC22H26N4O5S3
  • Average mass522.661 Da
  • Monoisotopic mass522.106506 Da
  • ChemSpider ID18446605

More details:

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

[4-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl][1-(2-thienylsulfonyl)-2-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
[4-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl][1-(2-thienylsulfonyl)-2-pyrrolidinyl]methanone [ACD/IUPAC Name]
[4-(4,7-Diméthoxy-1,3-benzothiazol-2-yl)-1-pipérazinyl][1-(2-thiénylsulfonyl)-2-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(4,7-dimethoxy-2-benzothiazolyl)-1-piperazinyl][1-(2-thienylsulfonyl)-2-pyrrolidinyl]- [ACD/Index Name]
(4-(4,7-dimethoxybenzo[d]thiazol-2-yl)piperazin-1-yl)(1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methanone
1101177-20-1 [RN]
4,7-dimethoxy-2-{4-[1-(thiophene-2-sulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl}-1,3-benzothiazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.6±35.7 °C
Index of Refraction: 1.664
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 18.85
ACD/KOC (pH 5.5): 225.01
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 42.45
ACD/KOC (pH 7.4): 506.83
Polar Surface Area: 157 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 65.5±3.0 dyne/cm
Molar Volume: 361.4±3.0 cm3

Click to predict properties on the Chemicalize site


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