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Chemical ID: 6017032
Chemical ID:
6017032
Name [?]:
N-(3-ethoxypropyl)-4-fluoro-N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]benzamide
SMILES [?]:
CCOCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C26H28F2N2O4/c1-2-33-15-4-14-29(26(32)21-8-12-23(28)13-9-21)19-25(31)30(18-24-5-3-16-34-24)17-20-6-10-22(27)11-7-20/h3,5-13,16H,2,4,14-15,17-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,23,5,22,14,18,29,33,15,17,30,32,6,4,24,12,20,8,13,28,16,31,21,9,26,19,34,7,11,10,27,3,25/E:(6,7)(8,9)(10,11)(12,13)/rA:34nCCOCCCNCCONCCCCCCCFCCCCCOCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s11;s20;d21;s22;d23;s21s24;s7;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H28F2N2O4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67047 |
Area: | 685.381 |
Solvation: | -7.46405 |
Coulombic: | -56.5835 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 470.508 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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