Chemical ID: 3961686

CC(C)N(c1nnc(s1)c2ccc(cc2)C(C)(C)C)C(=O)C3CCC3
Chemical ID:
3961686
Name [?]:
N-isopropyl-N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-cyclobutanecarboxamide
SMILES [?]:
CC(C)N(c1nnc(s1)c2ccc(cc2)C(C)(C)C)C(=O)C3CCC3
InChi [?]:
InChI=1/C20H27N3OS/c1-13(2)23(18(24)15-7-6-8-15)19-22-21-17(25-19)14-9-11-16(12-10-14)20(3,4)5/h9-13,15H,6-8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,19,24,23,25,11,15,12,14,2,10,22,13,8,20,5,16,7,6,4,21,9/E:(1,2)(3,4,5)(7,8)(9,10)(11,12)/rA:25nCCCNCNNCSCCCCCCCCCCCOCCCC/rB:s1;s2;s2;s4;d5;s6;d7;s5s8;s8;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;s4;d20;s20;s22;s23;s22s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.6098
Area:570.218
Solvation:-1.64568
Coulombic:-24.2907
Bond Count [?]
All:27
Single:21
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.514
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.08
LogP (Chemaxon):4.82

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Descriptor Annotations

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