Found 238 results

Search term: MF = 'C_{27}H_{30}N_{2}O_{4}S_{2}'
ChemSpider 2D Image | MFCD03418025 | C27H30N2O4S2

MFCD03418025

  • Molecular FormulaC27H30N2O4S2
  • Average mass510.668 Da
  • Monoisotopic mass510.164703 Da
  • ChemSpider ID4790489

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(4-Butoxybenzylidène)-7-méthyl-3-oxo-5-(2-thiényl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'isobutyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[(4-butoxyphenyl)methylene]-2,3-dihydro-7-methyl-3-oxo-5-(2-thienyl)-, 2-methylpropyl ester, (2E)- [ACD/Index Name]
Isobutyl (2E)-2-(4-butoxybenzylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Isobutyl-(2E)-2-(4-butoxybenzyliden)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD03418025
(E)-isobutyl 2-(4-butoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
2-methylpropyl (2E)-2-(4-butoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2-methylpropyl (2E)-2-[(4-butoxyphenyl)methylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
2-methylpropyl 2-[(4-butoxyphenyl)methylene]-7-methyl-3-oxo-5-(2-thienyl)-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
519010-38-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.0±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 143.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9523.18
ACD/KOC (pH 5.5): 24524.59
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9523.18
ACD/KOC (pH 7.4): 24524.59
Polar Surface Area: 122 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 401.3±7.0 cm3

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