ChemSpider 2D Image | Methyl 2-amino-4-[2-({4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}sulfinyl)phenyl]-6-methyl-5-nitro-1,4-dihydro-3-pyridinecarboxylate | C29H37N5O6S

Methyl 2-amino-4-[2-({4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}sulfinyl)phenyl]-6-methyl-5-nitro-1,4-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC29H37N5O6S
  • Average mass583.699 Da
  • Monoisotopic mass583.246460 Da
  • ChemSpider ID159836

More details:

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

2-Amino-1,4-dihydro-4-(2-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butylsulfinyl)phenyl)-6-methyl-5-nitro-3-pyridinecarboxylic acid methyl ester
2-Amino-4-[2-({4-[4-(2-méthoxyphényl)-1-pipérazinyl]butyl}sulfinyl)phényl]-6-méthyl-5-nitro-1,4-dihydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-amino-1,4-dihydro-4-(2-((4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)sulfinyl)phenyl)-6-methyl-5-nitro-, methyl ester
3-Pyridinecarboxylic acid, 2-amino-1,4-dihydro-4-[2-[[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]sulfinyl]phenyl]-6-methyl-5-nitro-, methyl ester [ACD/Index Name]
Methyl 2-amino-4-[2-({4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}sulfinyl)phenyl]-6-methyl-5-nitro-1,4-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-2-amino-4-[2-({4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl}sulfinyl)phenyl]-6-methyl-5-nitro-1,4-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
140941-86-2 [RN]
METHYL 2-AMINO-1,4-DIHYDRO-4-(2-((4-(4-(2-METHOXYPHENYL)-(PIPERAZIN-1-YL))BUTYL)SULFINYL)PHENYL)-6-METHYL-5-NITRO -3-PYRIDINECARBOXYLATE
Methyl 2-amino-4-(2-((4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)sulfinyl)phenyl)-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate
Methyl 2-amino-4-[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylsulfinyl]phenyl]-6-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate

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

XB 513 [DBID]
XB-513 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 780.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.7±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 158.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.14
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 21.55
ACD/KOC (pH 7.4): 245.90
Polar Surface Area: 162 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 428.5±5.0 cm3

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