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Chemical ID: 5932570
Chemical ID:
5932570
Name [?]:
N-(3,4-dimethylphenyl)-5-[[(4-fluorophenyl)methyl-tert-butyl-amino]methyl]furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)c2ccc(o2)CN(Cc3ccc(cc3)F)C(C)(C)C
InChi [?]:
InChI=1/C25H29FN2O2/c1-17-6-11-21(14-18(17)2)27-24(29)23-13-12-22(30-23)16-28(25(3,4)5)15-19-7-9-20(26)10-8-19/h6-14H,15-16H2,1-5H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,8,28,29,30,3,21,25,22,24,4,14,13,6,19,17,2,7,20,23,5,15,12,10,27,26,9,18,11,16/E:(3,4,5)(7,8)(9,10)/rA:30cCCCCCCCCNCOCCCCOCNCCCCCCCFCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s13;d14;s12s15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s23;s18;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29FN2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2083 |
Area: | 627.51 |
Solvation: | -3.47948 |
Coulombic: | -40.9431 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 408.508 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.5 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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