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Chemical ID: 6036866
Chemical ID:
6036866
Name [?]:
N-[(4-fluorophenyl)methyl]-N-[2-(2-methoxyethylcarbamoyl)ethyl]-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(=O)NCCOC)Cc2ccc(cc2)F
InChi [?]:
InChI=1/C20H25FN2O4/c1-14-12-18(15(2)27-14)20(25)23(10-8-19(24)22-9-11-26-3)13-16-4-6-17(21)7-5-16/h4-7,12H,8-11,13H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,7,19,22,26,23,25,12,16,11,17,3,20,2,5,21,24,4,13,8,27,15,10,14,9,18,6/E:(4,5)(6,7)/rA:27nCCCCCOCCONCCCONCCOCCCCCCCCF/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s18;s10;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25FN2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.10268 |
Area: | 602.764 |
Solvation: | -5.96641 |
Coulombic: | -54.8376 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 376.422 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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