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Chemical ID: 5790691
Chemical ID:
5790691
Name [?]:
N-[(2-benzyloxyphenyl)methyleneamino]-2-(4-chlorophenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)COc2ccccc2C=NNC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H19ClN2O3/c23-19-10-12-20(13-11-19)27-16-22(26)25-24-14-18-8-4-5-9-21(18)28-15-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,24,26,23,27,15,7,20,4,14,25,22,9,18,28,16,17,19,21,8/E:(2,3)(6,7)(10,11)(12,13)/rA:28nCCCCCCCOCCCCCCCNNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19ClN2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56976 |
Area: | 650.448 |
Solvation: | -6.69145 |
Coulombic: | -35.9588 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 394.851 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.92 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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