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Chemical ID: 5793532
Chemical ID:
5793532
Name [?]:
N'-[(2,4-dichlorophenyl)methyleneamino]-N-(2,6-dimethylphenyl)-oxamide
SMILES [?]:
Cc1cccc(c1NC(=O)C(=O)NN=Cc2ccc(cc2Cl)Cl)C
InChi [?]:
InChI=1/C17H15Cl2N3O2/c1-10-4-3-5-11(2)15(10)21-16(23)17(24)22-20-9-12-6-7-13(18)8-14(12)19/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,4,3,5,17,18,20,15,2,6,16,19,21,7,9,11,23,22,14,8,13,10,12/E:(1,2)(4,5)(10,11)/rA:24nCCCCCCCNCOCONNCCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15Cl2N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4808 |
Area: | 573.541 |
Solvation: | -2.85774 |
Coulombic: | -45.4331 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 364.225 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.72 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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