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Chemical ID: 6631521
Chemical ID:
6631521
Name [?]:
2-(3-chlorophenoxy)-N-[[2-[(4-fluorophenyl)methoxy]-1-naphthyl]methyleneamino]acetamide
SMILES [?]:
c1ccc2c(c1)ccc(c2C=NNC(=O)COc3cccc(c3)Cl)OCc4ccc(cc4)F
InChi [?]:
InChI=1/C26H20ClFN2O3/c27-20-5-3-6-22(14-20)32-17-26(31)30-29-15-24-23-7-2-1-4-19(23)10-13-25(24)33-16-18-8-11-21(28)12-9-18/h1-15H,16-17H2,(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,2,20,6,21,19,3,28,32,7,29,31,8,23,11,26,16,27,5,22,30,18,4,10,9,14,24,33,12,13,15,17,25/E:(8,9)(11,12)/rA:33nCCCCCCCCCCCNNCOCOCCCCCCClOCCCCCCCF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s9;s25;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20ClFN2O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.31332 |
Area: | 697.812 |
Solvation: | -8.13197 |
Coulombic: | -38.8661 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 462.9 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 7.35 |
LogP (Chemaxon): | 6.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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