Found 1 result

Search term: Clc1cc(NCC2CCNCC2)ccc1-c1nc2c3cc(Br)ccc3oc2c(=O)[nH]1 (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | 8-Bromo-2-{2-chloro-4-[(4-piperidinylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one | C22H20BrClN4O2


  • Molecular FormulaC22H20BrClN4O2
  • Average mass487.777 Da
  • Monoisotopic mass486.045807 Da
  • ChemSpider ID35034297

More details:

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

8-Brom-2-{2-chlor-4-[(4-piperidinylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
8-Bromo-2-{2-chloro-4-[(4-piperidinylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
8-Bromo-2-{2-chloro-4-[(4-pipéridinylméthyl)amino]phényl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Benzofuro[3,2-d]pyrimidin-4(3H)-one, 8-bromo-2-[2-chloro-4-[(4-piperidinylmethyl)amino]phenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.753
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.53
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 7.91
Polar Surface Area: 79 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 288.4±7.0 cm3

Click to predict properties on the Chemicalize site

Feedback Form