Chemical ID: 6016979

CCCCc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3
Chemical ID:
6016979
Name [?]:
4-butyl-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CCOC)CC(=O)N(Cc2ccc(cc2)F)Cc3ccco3
InChi [?]:
InChI=1/C28H33FN2O4/c1-3-4-6-22-8-12-24(13-9-22)28(33)30(16-18-34-2)21-27(32)31(20-26-7-5-17-35-26)19-23-10-14-25(29)15-11-23/h5,7-15,17H,3-4,6,16,18-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,3,33,4,32,6,10,24,28,7,9,25,27,14,34,15,22,30,18,5,23,8,26,31,19,11,29,13,21,20,12,16,35/E:(8,9)(10,11)(12,13)(14,15)/rA:35nCCCCCCCCCCCONCCOCCCONCCCCCCCFCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s13;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;s21;s30;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H33FN2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.7252
Area:704.553
Solvation:-5.88864
Coulombic:-55.068
Bond Count [?]
All:37
Single:27
Double:10
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:480.571
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.01
LogP (Chemaxon):4.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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