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Chemical ID: 5810534
Chemical ID:
5810534
Name [?]:
N-(5-chloro-2-methyl-phenyl)-N'-[(2-methoxyphenyl)methyleneamino]oxamide
SMILES [?]:
Cc1ccc(cc1NC(=O)C(=O)NN=Cc2ccccc2OC)Cl
InChi [?]:
InChI=1/C17H16ClN3O3/c1-11-7-8-13(18)9-14(11)20-16(22)17(23)21-19-10-12-5-3-4-6-15(12)24-2/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,18,19,17,20,3,4,6,15,2,16,5,7,21,9,11,24,14,8,13,10,12,22/rA:24nCCCCCCCNCOCONNCCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClN3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2773 |
Area: | 555.308 |
Solvation: | -3.60541 |
Coulombic: | -52.6933 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.78 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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