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Chemical ID: 6816264
Chemical ID:
6816264
Name [?]:
N'-(3-chlorophenyl)-N-[(4-propoxyphenyl)methyleneamino]oxamide
SMILES [?]:
CCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C18H18ClN3O3/c1-2-10-25-16-8-6-13(7-9-16)12-20-22-18(24)17(23)21-15-5-3-4-14(19)11-15/h3-9,11-12H,2,10H2,1H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,7,9,6,10,3,24,11,8,23,19,5,16,14,25,12,18,13,17,15,4/E:(6,7)(8,9)/rA:25nCCCOCCCCCCCNNCOCONCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18ClN3O3 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9845 |
Area: | 594.188 |
Solvation: | -3.87016 |
Coulombic: | -52.8203 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 359.807 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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