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Chemical ID: 6987235
Chemical ID:
6987235
Name [?]:
N-[(4-benzyloxyphenyl)methyleneamino]-2-(4-chloro-3,5-dimethyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCC(=O)NN=Cc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C24H23ClN2O3/c1-17-12-22(13-18(2)24(17)25)30-16-23(28)27-26-14-19-8-10-21(11-9-19)29-15-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,9,28,27,29,26,30,18,22,19,21,3,5,16,24,11,2,6,17,25,20,4,12,7,8,15,14,13,23,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(17,18)/rA:30nCCCCCCCClCOCCONNCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23ClN2O3 |
All Atoms: | 53 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1897 |
Area: | 698.063 |
Solvation: | -7.26184 |
Coulombic: | -34.9162 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 422.904 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.37 |
LogP (Chemaxon): | 5.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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