Chemical ID: 3940465

Cc1cc(cc(c1)N(CC(=O)NC(C)(C)C)C(=O)c2csnn2)C
Chemical ID:
3940465
Name [?]:
N-(3,5-dimethylphenyl)-N-(tert-butylcarbamoylmethyl)thiadiazole-4-carboxamide
SMILES [?]:
Cc1cc(cc(c1)N(CC(=O)NC(C)(C)C)C(=O)c2csnn2)C
InChi [?]:
InChI=1/C17H22N4O2S/c1-11-6-12(2)8-13(7-11)21(9-15(22)18-17(3,4)5)16(23)14-10-24-20-19-14/h6-8,10H,9H2,1-5H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,24,14,15,16,3,7,5,9,20,2,4,6,19,10,17,13,12,23,22,8,11,18,21/E:(1,2)(3,4,5)(7,8)(11,12)/rA:24nCCCCCCCNCCONCCCCCOCCSNNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s13;s13;s8;d17;s17;d19;s20;s21;s19d22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2823
Area:538.645
Solvation:-3.18384
Coulombic:-39.8403
Bond Count [?]
All:25
Single:18
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:346.448
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.27
LogP (Chemaxon):1.97

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