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Chemical ID: 7200451
Chemical ID:
7200451
Name [?]:
N-[(4-bromophenyl)methyleneamino]-N'-(2,5-dichlorophenyl)-oxamide
SMILES [?]:
c1cc(ccc1C=NNC(=O)C(=O)Nc2cc(ccc2Cl)Cl)Br
InChi [?]:
InChI=1/C15H10BrCl2N3O2/c16-10-3-1-9(2-4-10)8-19-21-15(23)14(22)20-13-7-11(17)5-6-12(13)18/h1-8H,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,18,19,16,7,6,3,17,20,15,12,10,23,22,21,8,14,9,13,11/E:(1,2)(3,4)/rA:23nCCCCCCCNNCOCONCCCCCCClClBr/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10BrCl2N3O2 |
All Atoms: | 33 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4402 |
Area: | 563.735 |
Solvation: | -2.65317 |
Coulombic: | -45.9068 |
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): | 4.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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