Chemical ID: 7302937

c1cc(ccc1c2nnc(o2)SCC(=O)NC(=O)NC3CCCCC3)F
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

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Descriptor Annotations

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