Chemical ID: 5827657

CC(C)(C)c1ccc(cc1)c2nnc(s2)NC(=O)c3ccccc3F
Chemical ID:
5827657
Name [?]:
2-fluoro-N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nnc(s2)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C19H18FN3OS/c1-19(2,3)13-10-8-12(9-11-13)17-22-23-18(25-17)21-16(24)14-6-4-5-7-15(14)20/h4-11H,1-3H3,(H,21,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,22,20,23,7,9,6,10,8,5,19,24,17,11,14,2,25,16,12,13,18,15/E:(1,2,3)(8,9)(10,11)/rA:25nCCCCCCCCCCCNNCSNCOCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s12;d13;s11s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18FN3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.89181
Area:564.426
Solvation:-4.21884
Coulombic:-31.1339
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:355.43
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.16
LogP (Chemaxon):5.08

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Descriptor Annotations

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