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Chemical ID: 5932553
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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