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Chemical ID: 6643958
Chemical ID:
6643958
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3
InChi [?]:
InChI=1/C24H24N2O4/c1-18-7-6-10-21(13-18)29-17-24(27)26-25-15-20-11-12-22(23(14-20)28-2)30-16-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,22,28,27,29,4,3,26,30,5,16,17,7,20,14,24,9,2,25,15,6,18,19,10,13,12,11,21,8,23/E:(4,5)(8,9)/rA:30nCCCCCCCOCCONNCCCCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52928 |
Area: | 675.283 |
Solvation: | -9.35278 |
Coulombic: | -40.8804 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 404.458 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.38 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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