Chemical ID: 6016927

CCc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3)C(C)C
Chemical ID:
6016927
Name [?]:
4-ethyl-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-isopropyl-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3)C(C)C
InChi [?]:
InChI=1/C26H29FN2O3/c1-4-20-7-11-22(12-8-20)26(31)29(19(2)3)18-25(30)28(17-24-6-5-15-32-24)16-21-9-13-23(27)14-10-21/h5-15,19H,4,16-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,32,2,27,26,4,8,18,22,5,7,19,21,28,16,24,12,30,3,17,6,20,25,13,9,23,15,11,14,10,29/E:(2,3)(7,8)(9,10)(11,12)(13,14)/rA:32nCCCCCCCCCONCCONCCCCCCCFCCCCCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;d25;s26;d27;s25s28;s11;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29FN2O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.4944
Area:612.281
Solvation:-4.81263
Coulombic:-46.6279
Bond Count [?]
All:34
Single:24
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:436.519
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.94
LogP (Chemaxon):4.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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