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Chemical ID: 6965480
Chemical ID:
6965480
Name [?]:
N-[(2-benzyloxyphenyl)methyleneamino]-2-(4-chloro-2-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NN=Cc2ccccc2OCc3ccccc3)Cl
InChi [?]:
InChI=1/C23H21ClN2O3/c1-17-13-20(24)11-12-21(17)29-16-23(27)26-25-14-19-9-5-6-10-22(19)28-15-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,17,18,24,28,16,19,5,6,3,14,22,9,2,23,15,4,7,20,10,29,13,12,11,21,8/E:(3,4)(7,8)/rA:29nCCCCCCCOCCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;d24;s25;d26;d23s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O3 |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.75148 |
Area: | 643.222 |
Solvation: | -8.32907 |
Coulombic: | -33.3416 |
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: | 6.15 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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