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Chemical ID: 4269472
Chemical ID:
4269472
Name [?]:
N-[(4-benzyloxyphenyl)methyleneamino]-2-(4-chlorophenoxy)-propanamide
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OCc2ccccc2)Oc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H21ClN2O3/c1-17(29-22-13-9-20(24)10-14-22)23(27)26-25-15-18-7-11-21(12-8-18)28-16-19-5-3-2-4-6-19/h2-15,17H,16H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,21,9,13,25,27,10,12,24,28,7,15,2,8,16,26,11,23,3,29,6,5,4,14,22/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29cCCCONNCCCCCCCOCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s2;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2643 |
Area: | 670.859 |
Solvation: | -6.50717 |
Coulombic: | -36.4209 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.877 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.45 |
LogP (Chemaxon): | 5.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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