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Chemical ID: 6621325
Chemical ID:
6621325
Name [?]:
N'-(4-bromophenyl)-N-[(2,3-dichlorophenyl)methyleneamino]oxamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)C=NNC(=O)C(=O)Nc2ccc(cc2)Br
InChi [?]:
InChI=1/C15H10BrCl2N3O2/c16-10-4-6-11(7-5-10)20-14(22)15(23)21-19-8-9-2-1-3-12(17)13(9)18/h1-8H,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,21,18,22,9,3,20,17,5,4,14,12,23,7,8,10,16,11,15,13/E:(4,5)(6,7)/rA:23nCCCCCCClClCNNCOCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10BrCl2N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2329 |
Area: | 556.568 |
Solvation: | -2.68132 |
Coulombic: | -45.8047 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 415.068 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.07 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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