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Chemical ID: 6172088
Chemical ID:
6172088
Name [?]:
N'-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C=NNC(=O)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H18ClN3O5/c1-25-14-8-11(9-15(26-2)16(14)27-3)10-20-22-18(24)17(23)21-13-6-4-12(19)5-7-13/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,12,10,23,25,22,26,4,6,13,5,24,21,3,7,8,18,16,27,14,20,15,19,17,2,11,9/E:(1,2)(4,5)(6,7)(8,9)(14,15)(25,26)/rA:27nCOCCCCCCOCOCCNNCOCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;s15;d16;s16;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClN3O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.58863 |
Area: | 595.487 |
Solvation: | -7.29856 |
Coulombic: | -65.0267 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 391.805 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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