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Chemical ID: 6917725
Chemical ID:
6917725
Name [?]:
N-[(5-bromo-2,4-dimethoxy-phenyl)methyleneamino]-N'-(3-chlorophenyl)-oxamide
SMILES [?]:
COc1cc(c(cc1C=NNC(=O)C(=O)Nc2cccc(c2)Cl)Br)OC
InChi [?]:
InChI=1/C17H15BrClN3O4/c1-25-14-8-15(26-2)13(18)6-10(14)9-20-22-17(24)16(23)21-12-5-3-4-11(19)7-12/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,19,20,18,7,22,4,9,8,21,17,6,3,5,14,12,24,23,10,16,11,15,13,2,25/rA:26nCOCCCCCCCNNCOCONCCCCCCClBrOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s6;s5;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15BrClN3O4 |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.8462 |
Area: | 607.344 |
Solvation: | -6.3374 |
Coulombic: | -56.5133 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 440.676 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.28 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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