Chemical ID: 3928564

CCCC(=O)N(CC)c1nnc(s1)c2ccc(cc2)C(C)(C)C
Chemical ID:
3928564
Name [?]:
N-ethyl-N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-butanamide
SMILES [?]:
CCCC(=O)N(CC)c1nnc(s1)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C18H25N3OS/c1-6-8-15(22)21(7-2)17-20-19-16(23-17)13-9-11-14(12-10-13)18(3,4)5/h9-12H,6-8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,21,22,23,2,7,3,15,19,16,18,14,17,4,12,9,20,11,10,6,5,13/E:(3,4,5)(9,10)(11,12)/rA:23nCCCCONCCCNNCSCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:12.0623
Area:561.558
Solvation:-1.97661
Coulombic:-23.6721
Bond Count [?]
All:24
Single:18
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:331.477
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.67
LogP (Chemaxon):4.35

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Descriptor Annotations

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