Chemical ID: 3967112

COc1cc2c(cc1OC)ncnc2Nc3cc(c(c(c3)Br)O)Br
Chemical ID:
3967112
Name [?]:
2,6-dibromo-4-(6,7-dimethoxyquinazolin-4-yl)amino-phenol
SMILES [?]:
COc1cc2c(cc1OC)ncnc2Nc3cc(c(c(c3)Br)O)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13Br2N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.57927
Area:538.003
Solvation:-5.8708
Coulombic:-50.5387
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:455.101
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):4.06

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue