Chemical ID: 6004196

Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C(C)C)NC(=O)C(C)C
Chemical ID:
6004196
Name [?]:
3-methyl-2-(2-methylpropanoylamino)-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]-butanamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C(C)C)NC(=O)C(C)C
InChi [?]:
InChI=1/C18H24N4O2S/c1-10(2)14(19-15(23)11(3)4)16(24)20-18-22-21-17(25-18)13-8-6-12(5)7-9-13/h6-11,14H,1-5H3,(H,19,23)(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:18,19,24,25,1,3,7,4,6,17,23,2,5,16,21,14,8,11,20,13,9,10,22,15,12/E:(1,2)(3,4)(6,7)(8,9)/rA:25cCCCCCCCCNNCSNCOCCCCNCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s17;s17;s16;s20;d21;s21;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.492
Area:588.848
Solvation:-3.22924
Coulombic:-47.9629
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:360.475
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.8
LogP (Chemaxon):3.58

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Descriptor Annotations

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