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Chemical ID: 5792652
Chemical ID:
5792652
Name [?]:
N'-(3-chlorophenyl)-N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]oxamide
SMILES [?]:
CCOc1cc(ccc1O)C=NNC(=O)C(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H16ClN3O4/c1-2-25-15-8-11(6-7-14(15)22)10-19-21-17(24)16(23)20-13-5-3-4-12(18)9-13/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,7,8,5,24,11,6,23,19,9,4,16,14,25,12,18,13,10,17,15,3/rA:25nCCOCCCCCCOCNNCOCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16ClN3O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2867 |
Area: | 582.934 |
Solvation: | -5.28665 |
Coulombic: | -67.4773 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.779 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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