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Chemical ID: 5861396
Chemical ID:
5861396
Name [?]:
N-[1-[[2-[(4-chlorophenyl)methoxy]phenyl]methyleneaminocarbamoyl]-2-methyl-propyl]-4-fluoro-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccccc1OCc2ccc(cc2)Cl)NC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C26H25ClFN3O3/c1-17(2)24(30-25(32)19-9-13-22(28)14-10-19)26(33)31-29-15-20-5-3-4-6-23(20)34-16-18-7-11-21(27)12-8-18/h3-15,17,24H,16H2,1-2H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,3,12,13,11,14,19,23,29,33,20,22,30,32,9,17,2,18,28,10,21,31,15,4,26,5,24,34,8,25,7,27,6,16/E:(1,2)(7,8)(9,10)(11,12)(13,14)/rA:34cCCCCCONNCCCCCCCOCCCCCCCClNCOCCCCCCF/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;s4;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25ClFN3O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5937 |
Area: | 735.397 |
Solvation: | -5.7912 |
Coulombic: | -55.5445 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 481.946 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.75 |
LogP (Chemaxon): | 5.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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