Chemical ID: 6004695

Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C(C)C)NC(=O)NC(C)(C)C
Chemical ID:
6004695
Name [?]:
3-methyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]-2-(tert-butylcarbamoylamino)butanamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C(C)C)NC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C19H27N5O2S/c1-11(2)14(20-17(26)22-19(4,5)6)15(25)21-18-24-23-16(27-18)13-9-7-12(3)8-10-13/h7-11,14H,1-6H3,(H2,20,22,26)(H,21,24,25)
InChi Info:
AuxInfo=1/1/N:18,19,1,25,26,27,3,7,4,6,17,2,5,16,14,8,21,11,24,20,13,23,9,10,15,22,12/E:(1,2)(4,5,6)(7,8)(9,10)/rA:27cCCCCCCCCNNCSNCOCCCCNCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s17;s16;s20;d21;s21;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27N5O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.474
Area:622.301
Solvation:-3.08348
Coulombic:-62.0092
Bond Count [?]
All:28
Single:21
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:389.516
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.19
LogP (Chemaxon):3.2

Name Annotations

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Descriptor Annotations

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