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Chemical ID: 5932238
Chemical ID:
5932238
Name [?]:
N-(3,4-dimethylphenyl)-5-[[(3-fluorophenyl)methyl-isopropyl-amino]methyl]furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)c2ccc(o2)CN(Cc3cccc(c3)F)C(C)C
InChi [?]:
InChI=1/C24H27FN2O2/c1-16(2)27(14-19-6-5-7-20(25)13-19)15-22-10-11-23(29-22)24(28)26-21-9-8-17(3)18(4)12-21/h5-13,16H,14-15H2,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:28,29,1,8,22,21,23,3,4,14,13,6,25,19,17,27,2,7,20,24,5,15,12,10,26,9,18,11,16/E:(1,2)/rA:29cCCCCCCCCNCOCCCCOCNCCCCCCCFCCC/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;s24;s18;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27FN2O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2726 |
Area: | 628.83 |
Solvation: | -3.44813 |
Coulombic: | -41.0697 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 394.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.08 |
LogP (Chemaxon): | 5.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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