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Chemical ID: 6036974
Chemical ID:
6036974
Name [?]:
N-[(4-fluorophenyl)methyl]-N-[2-(2-furylmethylcarbamoyl)ethyl]furan-3-carboxamide
SMILES [?]:
c1cc(oc1)CNC(=O)CCN(Cc2ccc(cc2)F)C(=O)c3ccoc3
InChi [?]:
InChI=1/C20H19FN2O4/c21-17-5-3-15(4-6-17)13-23(20(25)16-8-11-26-14-16)9-7-19(24)22-12-18-2-1-10-27-18/h1-6,8,10-11,14H,7,9,12-13H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,15,19,16,18,10,24,11,5,25,6,13,27,14,23,17,3,8,21,20,7,12,9,22,26,4/E:(3,4)(5,6)/rA:27nCCCOCCNCOCCNCCCCCCCFCOCCCOC/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s12;d21;s21;s23;d24;s25;d23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19FN2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77792 |
Area: | 587.191 |
Solvation: | -5.90185 |
Coulombic: | -54.091 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 370.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.78 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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