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Chemical ID: 6415756
Chemical ID:
6415756
Name [?]:
N-(2,4-dimethylphenyl)-N'-[(2-hydroxyphenyl)methyleneamino]oxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)C(=O)NN=Cc2ccccc2O
InChi [?]:
InChI=1/C17H17N3O3/c1-11-7-8-14(12(2)9-11)19-16(22)17(23)20-18-10-13-5-3-4-6-15(13)21/h3-10,21H,1-2H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,8,19,20,18,21,3,4,7,16,2,6,17,5,22,10,12,15,9,14,23,11,13/rA:23nCCCCCCCCNCOCONNCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59412 |
Area: | 522.214 |
Solvation: | -3.46124 |
Coulombic: | -60.884 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.335 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.28 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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