Chemical ID: 6631827

c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Cl)Br
Chemical ID:
6631827
Name [?]:
N-[(2-bromophenyl)methyleneamino]-N'-[2-[(4-chlorophenyl)carbamoyl]phenyl]-oxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Cl)Br
InChi [?]:
InChI=1/C22H16BrClN4O3/c23-18-7-3-1-5-14(18)13-25-28-22(31)21(30)27-19-8-4-2-6-17(19)20(29)26-16-11-9-15(24)10-12-16/h1-13H,(H,26,29)(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,6,19,3,16,26,28,25,29,7,5,27,24,20,4,15,21,12,10,31,30,8,23,14,9,22,13,11/E:(9,10)(11,12)/rA:31nCCCCCCCNNCOCONCCCCCCCONCCCCCCClBr/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16BrClN4O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.3167
Area:677.213
Solvation:-3.61358
Coulombic:-67.6729
Bond Count [?]
All:33
Single:20
Double:13
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:499.744
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:5.85
LogP (Chemaxon):5.35

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