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Chemical ID: 3894124
Chemical ID:
3894124
Name [?]:
N-(3-chlorophenyl)-N-(cyclohexylcarbamoyl-phenyl-methyl)-furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)C(C(=O)NC2CCCCC2)N(c3cccc(c3)Cl)C(=O)c4ccco4
InChi [?]:
InChI=1/C25H25ClN2O3/c26-19-11-7-14-21(17-19)28(25(30)22-15-8-16-31-22)23(18-9-3-1-4-10-18)24(29)27-20-12-5-2-6-13-20/h1,3-4,7-11,14-17,20,23H,2,5-6,12-13H2,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,14,2,6,13,15,20,29,3,5,21,12,16,19,28,30,23,4,22,11,18,27,7,8,25,24,10,17,9,26,31/E:(3,4)(5,6)(9,10)(12,13)/rA:31cCCCCCCCCONCCCCCCNCCCCCCClCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s7;s17;s18;d19;s20;d21;d18s22;s22;s17;d25;s25;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25ClN2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1601 |
Area: | 619.322 |
Solvation: | -3.32291 |
Coulombic: | -50.7124 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 436.93 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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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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