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Chemical ID: 6036849
Chemical ID:
6036849
Name [?]:
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-N-[2-(sec-butylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCN(Cc1ccc(cc1)F)C(=O)c2cc(oc2C)C
InChi [?]:
InChI=1/C21H27FN2O3/c1-5-14(2)23-20(25)10-11-24(13-17-6-8-18(22)9-7-17)21(26)19-12-15(3)27-16(19)4/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,4,27,26,2,13,17,14,16,8,9,22,11,3,23,25,12,15,21,6,19,18,5,10,7,20,24/E:(6,7)(8,9)/rA:27cCCCCNCOCCNCCCCCCCFCOCCCOCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;d19;s19;s21;d22;s23;d21s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27FN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.9131 |
Area: | 612.727 |
Solvation: | -4.40509 |
Coulombic: | -48.1719 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.449 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.09 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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