Chemical ID: 5932238

Cc1ccc(cc1C)NC(=O)c2ccc(o2)CN(Cc3cccc(c3)F)C(C)C
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

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Descriptor Annotations

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