Found 1 result

Search term: AIVHUDXQWUQKOR-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-[4-({1-[4-(6-Chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-methyl-1-oxo-2-propanyl}oxy)phenyl]-3-methyl-1-propyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione | C31H33ClN6O4S

6-[4-({1-[4-(6-Chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-methyl-1-oxo-2-propanyl}oxy)phenyl]-3-methyl-1-propyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione

  • Molecular FormulaC31H33ClN6O4S
  • Average mass621.149 Da
  • Monoisotopic mass620.197266 Da
  • ChemSpider ID23318515

More details:

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

1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione, 6-[4-[2-[4-(6-chloro-2-benzothiazolyl)-1-piperazinyl]-1,1-dimethyl-2-oxoethoxy]phenyl]-3-methyl-1-propyl- [ACD/Index Name]
6-[4-({1-[4-(6-Chlor-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-methyl-1-oxo-2-propanyl}oxy)phenyl]-3-methyl-1-propyl-1H-pyrrolo[3,2-d]pyrimidin-2,4(3H,5H)-dion [German] [ACD/IUPAC Name]
6-[4-({1-[4-(6-Chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-methyl-1-oxo-2-propanyl}oxy)phenyl]-3-methyl-1-propyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione [ACD/IUPAC Name]
6-[4-({1-[4-(6-Chloro-1,3-benzothiazol-2-yl)-1-pipérazinyl]-2-méthyl-1-oxo-2-propanyl}oxy)phényl]-3-méthyl-1-propyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione [French] [ACD/IUPAC Name]
6-[4-({1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl}oxy)phenyl]-3-methyl-1-propyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
6-(4-(1-(4-(6-chlorobenzo[d]thiazol-2-yl)piperazin-1-yl)-2-methyl-1-oxopropan-2-yloxy)phenyl)-3-methyl-1-propyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 844.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 464.6±37.1 °C
Index of Refraction: 1.655
Molar Refractivity: 166.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2195.92
ACD/KOC (pH 5.5): 8375.64
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2388.36
ACD/KOC (pH 7.4): 9109.67
Polar Surface Area: 130 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 453.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement