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Chemical ID: 6004196
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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