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Chemical ID: 6628115
Chemical ID:
6628115
Name [?]:
N-[(5-bromo-2-methoxy-phenyl)methyleneamino]-N'-(2-chlorophenyl)-oxamide
SMILES [?]:
COc1ccc(cc1C=NNC(=O)C(=O)Nc2ccccc2Cl)Br
InChi [?]:
InChI=1/C16H13BrClN3O3/c1-24-14-7-6-11(17)8-10(14)9-19-21-16(23)15(22)20-13-5-3-2-4-12(13)18/h2-9H,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,5,4,7,9,8,6,22,17,3,14,12,24,23,10,16,11,15,13,2/rA:24nCOCCCCCCCNNCOCONCCCCCCClBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13BrClN3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2847 |
Area: | 557.65 |
Solvation: | -3.65652 |
Coulombic: | -52.6414 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 410.65 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.36 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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