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Chemical ID: 4221840
Chemical ID:
4221840
Name [?]:
N'-(4-bromophenyl)-N-[(2-hydroxyphenyl)methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccc(cc2)Br)O
InChi [?]:
InChI=1/C15H12BrN3O3/c16-11-5-7-12(8-6-11)18-14(21)15(22)19-17-9-10-3-1-2-4-13(10)20/h1-9,20H,(H,18,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,19,16,20,7,5,18,15,4,12,10,21,8,14,9,22,13,11/E:(5,6)(7,8)/rA:22nCCCCCCCNNCOCONCCCCCCBrO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12BrN3O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42487 |
Area: | 512.284 |
Solvation: | -3.38224 |
Coulombic: | -60.9599 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 362.178 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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