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Chemical ID: 3906563
Chemical ID:
3906563
Name [?]:
N-[cyclopentylcarbamoyl-(2-fluorophenyl)-methyl]-N-(2,6-dimethylphenyl)-furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1N(C(c2ccccc2F)C(=O)NC3CCCC3)C(=O)c4ccco4)C
InChi [?]:
InChI=1/C26H27FN2O3/c1-17-9-7-10-18(2)23(17)29(26(31)22-15-8-16-32-22)24(20-13-5-6-14-21(20)27)25(30)28-19-11-3-4-12-19/h5-10,13-16,19,24H,3-4,11-12H2,1-2H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,32,22,23,12,13,4,29,3,5,21,24,11,14,28,30,2,6,20,10,15,27,7,9,17,25,16,19,8,18,26,31/E:(1,2)(3,4)(9,10)(11,12)(17,18)/rA:32cCCCCCCCNCCCCCCCFCONCCCCCCOCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s9;d17;s17;s19;s20;s21;s22;s20s23;s8;d25;s25;d27;s28;d29;s27s30;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27FN2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2062 |
Area: | 599.733 |
Solvation: | -3.78709 |
Coulombic: | -52.9903 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 434.503 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.98 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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