Chemical ID: 7021475

CCN1c2ccc(cc2C(=NNC(=O)COc3ccc4cc(ccc4c3)Br)C1=O)C
Chemical ID:
7021475
Name [?]:
2-[(6-bromo-2-naphthyl)oxy]-N-(1-ethyl-5-methyl-2-oxo-indolin-3-ylidene)amino-acetamide
SMILES [?]:
CCN1c2ccc(cc2C(=NNC(=O)COc3ccc4cc(ccc4c3)Br)C1=O)C
InChi [?]:
InChI=1/C23H20BrN3O3/c1-3-27-20-9-4-14(2)10-19(20)22(23(27)29)26-25-21(28)13-30-18-8-6-15-11-17(24)7-5-16(15)12-18/h4-12H,3,13H2,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,30,2,6,24,19,23,18,5,8,21,26,15,7,20,25,22,17,9,4,13,10,28,27,12,11,3,14,29,16/rA:30nCCNCCCCCCCNNCOCOCCCCCCCCCCBrCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;s22;s3s10;d28;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20BrN3O3
All Atoms:50
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.4126
Area:657.639
Solvation:-5.02839
Coulombic:-45.8633
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:466.327
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.61
LogP (Chemaxon):4.78

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