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Chemical ID: 5940256
Chemical ID:
5940256
Name [?]:
N-[3-[2-(3-fluorophenyl)aminothiazol-4-yl]phenyl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2cccc(c2)c3csc(n3)Nc4cccc(c4)F
InChi [?]:
InChI=1/C23H18FN3OS/c1-15-6-2-3-11-20(15)22(28)25-18-9-4-7-16(12-18)21-14-29-23(27-21)26-19-10-5-8-17(24)13-19/h2-14H,1H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,4,5,13,25,3,14,26,12,24,6,16,28,18,2,15,27,11,23,7,17,8,20,29,10,22,21,9,19/rA:29nCCCCCCCCONCCCCCCCCSCNNCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s20;s22;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18FN3OS |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8981 |
Area: | 615.422 |
Solvation: | -3.48748 |
Coulombic: | -44.9626 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 403.473 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.64 |
LogP (Chemaxon): | 6.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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