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Chemical ID: 6628687
Chemical ID:
6628687
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyleneamino]-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H23ClN2O4/c1-17-3-10-21(11-4-17)30-16-24(28)27-26-14-19-7-12-22(23(13-19)29-2)31-15-18-5-8-20(25)9-6-18/h3-14H,15-16H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,22,3,7,26,30,16,27,29,4,6,17,20,14,24,9,2,25,15,28,5,18,19,10,31,13,12,11,21,8,23/E:(3,4)(5,6)(8,9)(10,11)/rA:31nCCCCCCCOCCONNCCCCCCCOCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23ClN2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40431 |
Area: | 709.533 |
Solvation: | -9.334 |
Coulombic: | -40.9677 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 438.903 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.01 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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