Chemical ID: 5932553

CC(C)(C)N(Cc1ccc(cc1)F)Cc2ccc(o2)C(=O)NCCc3ccccc3
Chemical ID:
5932553
Name [?]:
5-[[(4-fluorophenyl)methyl-tert-butyl-amino]methyl]-N-phenethyl-furan-2-carboxamide
SMILES [?]:
CC(C)(C)N(Cc1ccc(cc1)F)Cc2ccc(o2)C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C25H29FN2O2/c1-25(2,3)28(17-20-9-11-21(26)12-10-20)18-22-13-14-23(30-22)24(29)27-16-15-19-7-5-4-6-8-19/h4-14H,15-18H2,1-3H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,3,4,28,27,29,26,30,8,12,9,11,16,17,24,23,6,14,25,7,10,15,18,20,2,13,22,5,21,19/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:30cCCCCNCCCCCCCFCCCCCOCONCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s10;s5;s14;d15;s16;d17;s15s18;s18;d20;s20;s22;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29FN2O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.3284
Area:650.436
Solvation:-3.93246
Coulombic:-42.2864
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:408.508
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.93
LogP (Chemaxon):4.32

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Descriptor Annotations

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