ChemSpider 2D Image | 2-[(4-Isopropyl-6-methoxy-1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methoxy]-9-[3-(4-morpholinyl)propoxy]-4H-pyrido[1,2-a]pyrimidin-4-one | C27H32N4O8S

2-[(4-Isopropyl-6-methoxy-1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methoxy]-9-[3-(4-morpholinyl)propoxy]-4H-pyrido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC27H32N4O8S
  • Average mass572.630 Da
  • Monoisotopic mass572.194092 Da
  • ChemSpider ID8407174

More details:

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

2-[(4-Isopropyl-6-methoxy-1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methoxy]-9-[3-(4-morpholinyl)propoxy]-4H-pyrido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-[(4-Isopropyl-6-methoxy-1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methoxy]-9-[3-(4-morpholinyl)propoxy]-4H-pyrido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
2-[(4-Isopropyl-6-méthoxy-3-oxo-1,1-dioxydo-1,2-benzothiazol-2(3H)-yl)méthoxy]-9-[3-(4-morpholinyl)propoxy]-4H-pyrido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[[6-methoxy-4-(1-methylethyl)-1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl]methoxy]-9-[3-(4-morpholinyl)propoxy]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 784.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 428.1±35.7 °C
Index of Refraction: 1.650
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.37
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 2.78
ACD/KOC (pH 7.4): 64.22
Polar Surface Area: 136 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 399.2±7.0 cm3

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