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Chemical ID: 6490243
Chemical ID:
6490243
Name [?]:
N-[(2-benzyloxyphenyl)methyleneamino]-2-(5-isopropyl-2-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1OCC(=O)NN=Cc2ccccc2OCc3ccccc3)C(C)C
InChi [?]:
InChI=1/C26H28N2O3/c1-19(2)22-14-13-20(3)25(15-22)31-18-26(29)28-27-16-23-11-7-8-12-24(23)30-17-21-9-5-4-6-10-21/h4-16,19H,17-18H2,1-3H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:30,31,1,26,25,27,17,18,24,28,16,19,3,4,6,14,22,9,29,2,23,5,15,20,7,10,13,12,11,21,8/E:(1,2)(5,6)(9,10)/rA:31nCCCCCCCOCCONNCCCCCCCOCCCCCCCCCC/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;s5;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8444 |
Area: | 699.848 |
Solvation: | -6.65182 |
Coulombic: | -36.312 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 416.512 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.93 |
LogP (Chemaxon): | 6.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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