ChemSpider 2D Image | (4-Benzyl-1-piperazinyl)[1-(pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-4-piperidinyl]methanone | C26H28N6OS

(4-Benzyl-1-piperazinyl)[1-(pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-4-piperidinyl]methanone

  • Molecular FormulaC26H28N6OS
  • Average mass472.605 Da
  • Monoisotopic mass472.204529 Da
  • ChemSpider ID22279010

More details:

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

(4-Benzyl-1-piperazinyl)[1-(pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-4-piperidinyl]methanon [German] [ACD/IUPAC Name]
(4-Benzyl-1-piperazinyl)[1-(pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-4-piperidinyl]methanone [ACD/IUPAC Name]
(4-Benzyl-1-pipérazinyl)[1-(pyrido[3',2':4,5]thiéno[3,2-d]pyrimidin-4-yl)-4-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(phenylmethyl)-1-piperazinyl][1-(pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)-4-piperidinyl]- [ACD/Index Name]
(4-benzylpiperazin-1-yl)(1-(pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl)methanone
1040681-75-1 [RN]
4-{4-[(4-benzylpiperazin-1-yl)carbonyl]piperidin-1-yl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
6-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 698.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 375.9±31.5 °C
Index of Refraction: 1.701
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 32.57
ACD/KOC (pH 5.5): 306.88
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 96.86
ACD/KOC (pH 7.4): 912.58
Polar Surface Area: 94 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 353.3±3.0 cm3

Click to predict properties on the Chemicalize site


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