Chemical ID: 5909229

COCCN(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)c3ccc(cc3)C(F)(F)F
Chemical ID:
5909229
Name [?]:
N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
SMILES [?]:
COCCN(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C26H27F3N2O4/c1-34-17-15-31(25(33)21-9-11-22(12-10-21)26(27,28)29)19-24(32)30(18-23-8-5-16-35-23)14-13-20-6-3-2-4-7-20/h2-12,16H,13-15,17-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,21,13,17,20,27,31,28,30,11,10,4,22,3,18,6,12,26,29,19,7,24,32,33,34,35,9,5,8,25,2,23/E:(3,4)(6,7)(9,10)(11,12)(27,28,29)/rA:35nCOCCNCCONCCCCCCCCCCCCCOCOCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27F3N2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:10.4927
Area:707.439
Solvation:-7.19325
Coulombic:-67.7863
Bond Count [?]
All:37
Single:27
Double:10
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:488.499
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.89
LogP (Chemaxon):3.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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