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Chemical ID: 6016955
Chemical ID:
6016955
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-(2-methoxyethyl)hexanamide
SMILES [?]:
CCCCCC(=O)N(CCOC)CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2
InChi [?]:
InChI=1/C23H31FN2O4/c1-3-4-5-8-22(27)25(13-15-29-2)18-23(28)26(17-21-7-6-14-30-21)16-19-9-11-20(24)12-10-19/h6-7,9-12,14H,3-5,8,13,15-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,3,4,28,27,5,19,23,20,22,9,29,10,17,25,13,18,21,26,6,14,24,8,16,7,15,11,30/E:(9,10)(11,12)/rA:30nCCCCCCONCCOCCCONCCCCCCCFCCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s16;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31FN2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91757 |
Area: | 677.102 |
Solvation: | -7.00998 |
Coulombic: | -51.0567 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 418.502 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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