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Chemical ID: 7302937
Chemical ID:
7302937
Name [?]:
N-(cyclohexylcarbamoyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILES [?]:
c1cc(ccc1c2nnc(o2)SCC(=O)NC(=O)NC3CCCCC3)F
InChi [?]:
InChI=1/C17H19FN4O3S/c18-12-8-6-11(7-9-12)15-21-22-17(25-15)26-10-14(23)20-16(24)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H2,19,20,23,24)
InChi Info:
AuxInfo=1/1/N:23,22,24,21,25,1,5,2,4,13,6,3,20,14,7,17,10,26,19,16,8,9,15,18,11,12/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCCNNCOSCCONCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;s12;s13;d14;s14;s16;d17;s17;s19;s20;s21;s22;s23;s20s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19FN4O3S |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7454 |
Area: | 599.311 |
Solvation: | -5.23737 |
Coulombic: | -60.1429 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 378.422 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.06 |
LogP (Chemaxon): | 2.52 |
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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