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Chemical ID: 6963076
Chemical ID:
6963076
Name [?]:
2-(4-chlorophenoxy)-N-[(2-methoxy-1-naphthyl)methyleneamino]acetamide
SMILES [?]:
COc1ccc2ccccc2c1C=NNC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H17ClN2O3/c1-25-19-11-6-14-4-2-3-5-17(14)18(19)12-22-23-20(24)13-26-16-9-7-15(21)8-10-16/h2-12H,13H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,5,22,24,21,25,4,13,18,6,23,20,11,12,3,16,26,14,15,17,2,19/E:(7,8)(9,10)/rA:26nCOCCCCCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;w13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17ClN2O3 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.88014 |
Area: | 593.436 |
Solvation: | -7.95577 |
Coulombic: | -32.3034 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.813 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.48 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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