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Chemical ID: 6631285
Chemical ID:
6631285
Name [?]:
N'-(3-chloro-2-methyl-phenyl)-N-[(2-ethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
CCOc1ccccc1C=NNC(=O)C(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C18H18ClN3O3/c1-3-25-16-10-5-4-7-13(16)11-20-22-18(24)17(23)21-15-9-6-8-14(19)12(15)2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,7,6,20,8,21,19,5,10,23,9,22,18,4,15,13,25,11,17,12,16,14,3/rA:25nCCOCCCCCCCNNCOCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClN3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0288 |
Area: | 581.756 |
Solvation: | -3.51509 |
Coulombic: | -53.2499 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 359.807 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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