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Chemical ID: 6620960
Chemical ID:
6620960
Name [?]:
N-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2-(2,5-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3)C
InChi [?]:
InChI=1/C25H26N2O4/c1-18-9-10-19(2)23(13-18)31-17-25(28)27-26-15-21-11-12-22(24(14-21)29-3)30-16-20-7-5-4-6-8-20/h4-15H,16-17H2,1-3H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,31,22,28,27,29,26,30,3,4,16,17,7,20,14,24,9,2,5,25,15,18,6,19,10,13,12,11,21,23,8/E:(5,6)(7,8)/rA:31nCCCCCCCOCCONNCCCCCCCOCOCCCCCCCC/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;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08839 |
Area: | 695.294 |
Solvation: | -9.29396 |
Coulombic: | -40.8241 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.485 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.61 |
LogP (Chemaxon): | 5.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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