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Chemical ID: 4136101
Chemical ID:
4136101
Name [?]:
N'-[(5-bromo-2-hydroxy-phenyl)methyleneamino]-N-(3-methoxyphenyl)-oxamide
SMILES [?]:
COc1cccc(c1)NC(=O)C(=O)NN=Cc2cc(ccc2O)Br
InChi [?]:
InChI=1/C16H14BrN3O4/c1-24-13-4-2-3-12(8-13)19-15(22)16(23)20-18-9-10-7-11(17)5-6-14(10)21/h2-9,21H,1H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,20,21,18,8,16,17,19,7,3,22,10,12,24,15,9,14,23,11,13,2/rA:24nCOCCCCCCNCOCONNCCCCCCCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14BrN3O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.65331 |
Area: | 544.511 |
Solvation: | -4.95946 |
Coulombic: | -66.7068 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.204 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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