Chemical ID: 5932606

Cc1ccc(cc1)CN(Cc2ccc(o2)C(=O)Nc3ccc(cc3)F)C(C)(C)C
Chemical ID:
5932606
Name [?]:
N-(4-fluorophenyl)-5-[(p-tolylmethyl-tert-butyl-amino)methyl]furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)CN(Cc2ccc(o2)C(=O)Nc3ccc(cc3)F)C(C)(C)C
InChi [?]:
InChI=1/C24H27FN2O2/c1-17-5-7-18(8-6-17)15-27(24(2,3)4)16-21-13-14-22(29-21)23(28)26-20-11-9-19(25)10-12-20/h5-14H,15-16H2,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,3,7,4,6,21,23,20,24,12,13,8,10,2,5,22,19,11,14,16,26,25,18,9,17,15/E:(2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:29cCCCCCCCCNCCCCCOCONCCCCCCFCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;s11s14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;s9;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27FN2O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.518
Area:622.411
Solvation:-4.04229
Coulombic:-40.2073
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:5.06
LogP (Chemaxon):4.92

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Descriptor Annotations

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