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Chemical ID: 5647635
Chemical ID:
5647635
Name [?]:
3-methyl-N-(5-methyl-4-phenyl-thiazol-2-yl)-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2nc(c(s2)C)c3ccccc3
InChi [?]:
InChI=1/C18H16N2OS/c1-12-7-6-10-15(11-12)17(21)20-18-19-16(13(2)22-18)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,16,20,19,21,4,3,18,22,5,7,2,14,17,6,13,8,11,12,10,9,15/E:(4,5)(8,9)/rA:22nCCCCCCCCONCNCCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;d13;s11s14;s14;s13;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7073 |
Area: | 512.542 |
Solvation: | -2.10624 |
Coulombic: | -30.1658 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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