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Chemical ID: 5191138
Chemical ID:
5191138
Name [?]:
5-methyl-N-[5-(m-tolylmethyl)thiazol-2-yl]-furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1)Cc2cnc(s2)NC(=O)c3ccc(o3)C
InChi [?]:
InChI=1/C17H16N2O2S/c1-11-4-3-5-13(8-11)9-14-10-18-17(22-14)19-16(20)15-7-6-12(2)21-15/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,4,3,5,19,18,7,8,10,2,20,6,9,17,15,12,11,14,16,21,13/rA:22nCCCCCCCCCCNCSNCOCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;d17;s18;d19;s17s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2646 |
Area: | 528.849 |
Solvation: | -2.95662 |
Coulombic: | -35.7878 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 312.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.32 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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