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Chemical ID: 4805375
Chemical ID:
4805375
Name [?]:
N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-N'-(2-isopropylphenyl)-butanediamide
SMILES [?]:
CC(C)Cc1nnc(s1)NC(=O)CCC(=O)Nc2ccccc2C(C)C
InChi [?]:
InChI=1/C19H26N4O2S/c1-12(2)11-18-22-23-19(26-18)21-17(25)10-9-16(24)20-15-8-6-5-7-14(15)13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,20,24)(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,25,26,21,20,22,19,14,13,4,2,24,23,18,15,11,5,8,17,10,6,7,16,12,9/E:(1,2)(3,4)/rA:26nCCCCCNNCSNCOCCCONCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s5s8;s8;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N4O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.959 |
Area: | 628.771 |
Solvation: | -3.76024 |
Coulombic: | -44.3622 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.501 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.04 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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