Chemical ID: 3940432

Cc1ccc(c(c1)C)N(CC(=O)NC(C)(C)C)C(=O)c2csnn2
Chemical ID:
3940432
Name [?]:
N-(2,4-dimethylphenyl)-N-(tert-butylcarbamoylmethyl)thiadiazole-4-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)N(CC(=O)NC(C)(C)C)C(=O)c2csnn2
InChi [?]:
InChI=1/C17H22N4O2S/c1-11-6-7-14(12(2)8-11)21(9-15(22)18-17(3,4)5)16(23)13-10-24-20-19-13/h6-8,10H,9H2,1-5H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,8,15,16,17,3,4,7,10,21,2,6,20,5,11,18,14,13,24,23,9,12,19,22/E:(3,4,5)/rA:24nCCCCCCCCNCCONCCCCCOCCSNN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;d11;s11;s13;s14;s14;s14;s9;d18;s18;d20;s21;s22;s20d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.3238
Area:533.513
Solvation:-3.01403
Coulombic:-40.1584
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:4.06
LogP (Chemaxon):1.97

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