Chemical ID: 5415441

Cc1ccc(cc1NC(=O)CSc2nc(cs2)C(C)(C)C)F
Chemical ID:
5415441
Name [?]:
N-(5-fluoro-2-methyl-phenyl)-2-(4-tert-butylthiazol-2-yl)sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)CSc2nc(cs2)C(C)(C)C)F
InChi [?]:
InChI=1/C16H19FN2OS2/c1-10-5-6-11(17)7-12(10)18-14(20)9-22-15-19-13(8-21-15)16(2,3)4/h5-8H,9H2,1-4H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,21,3,4,6,16,11,2,5,7,15,9,13,18,22,8,14,10,17,12/E:(2,3,4)/rA:22nCCCCCCCNCOCSCNCCSCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s15;s18;s18;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19FN2OS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.95469
Area:539.369
Solvation:-3.52954
Coulombic:-30.2378
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.465
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.13
LogP (Chemaxon):4.7

Name Annotations

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Descriptor Annotations

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