Found 219 results

Search term: MF = 'C_{30}H_{38}N_{4}O_{2}S'
ChemSpider 2D Image | (2-Methyl-1,2,3,4-tetrahydro-3-isoquinolinyl){4-[2-(3-{[methyl(2-thienylmethyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}methanone | C30H38N4O2S

(2-Methyl-1,2,3,4-tetrahydro-3-isoquinolinyl){4-[2-(3-{[methyl(2-thienylmethyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}methanone

  • Molecular FormulaC30H38N4O2S
  • Average mass518.713 Da
  • Monoisotopic mass518.271545 Da
  • ChemSpider ID23069706

More details:

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

(2-Methyl-1,2,3,4-tetrahydro-3-isochinolinyl){4-[2-(3-{[methyl(2-thienylmethyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
(2-Méthyl-1,2,3,4-tétrahydro-3-isoquinoléinyl){4-[2-(3-{[méthyl(2-thiénylméthyl)amino]méthyl}phénoxy)éthyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
(2-Methyl-1,2,3,4-tetrahydro-3-isoquinolinyl){4-[2-(3-{[methyl(2-thienylmethyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
Methanone, [4-[2-[3-[[methyl(2-thienylmethyl)amino]methyl]phenoxy]ethyl]-1-piperazinyl](1,2,3,4-tetrahydro-2-methyl-3-isoquinolinyl)- [ACD/Index Name]
N-methyl-1-[3-(2-{4-[(2-methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)carbonyl]-1-piperazinyl}ethoxy)phenyl]-N-(2-thienylmethyl)methanamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.2±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 451.88
ACD/KOC (pH 7.4): 2031.31
Polar Surface Area: 68 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 435.9±3.0 cm3

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