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Search term: MF = 'C_{28}H_{31}Cl_{2}N_{3}O_{4}S'
ChemSpider 2D Image | 1-(2-{4-[(4-Chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-(3-chlorophenyl)-1-(3-methoxypropyl)urea | C28H31Cl2N3O4S

1-(2-{4-[(4-Chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-(3-chlorophenyl)-1-(3-methoxypropyl)urea

  • Molecular FormulaC28H31Cl2N3O4S
  • Average mass576.534 Da
  • Monoisotopic mass575.141235 Da
  • ChemSpider ID22670340

More details:

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

1-(2-{4-[(4-Chlor-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-(3-chlorphenyl)-1-(3-methoxypropyl)harnstoff [German] [ACD/IUPAC Name]
1-(2-{4-[(4-Chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-oxoethyl)-3-(3-chlorophenyl)-1-(3-methoxypropyl)urea [ACD/IUPAC Name]
1-(2-{4-[(4-Chloro-3-méthylphénoxy)méthyl]-6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl}-2-oxoéthyl)-3-(3-chlorophényl)-1-(3-méthoxypropyl)urée [French] [ACD/IUPAC Name]
Urea, N-[2-[4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-oxoethyl]-N'-(3-chlorophenyl)-N-(3-methoxypropyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 771.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.6±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 153.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18107.41
ACD/KOC (pH 5.5): 38847.25
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18107.13
ACD/KOC (pH 7.4): 38846.65
Polar Surface Area: 99 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 434.8±3.0 cm3

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