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Chemical ID: 5567966
Chemical ID:
5567966
Name [?]:
4-acetamido-N-[4-(4-fluorophenyl)thiazol-2-yl]-benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H14FN3O2S/c1-11(23)20-15-8-4-13(5-9-15)17(24)22-18-21-16(10-25-18)12-2-6-14(19)7-3-12/h2-10H,1H3,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,20,24,7,9,21,23,6,10,17,2,19,8,22,5,16,11,14,25,4,15,13,3,12,18/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCCONCCCCCCCONCNCCSCCCCCCF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14FN3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47934 |
Area: | 561.297 |
Solvation: | -4.55307 |
Coulombic: | -50.345 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.387 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.24 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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