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Chemical ID: 4324916
Chemical ID:
4324916
Name [?]:
N-[5-(m-tolylmethyl)thiazol-2-yl]benzamide
SMILES [?]:
Cc1cccc(c1)Cc2cnc(s2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C18H16N2OS/c1-13-6-5-7-14(10-13)11-16-12-19-18(22-16)20-17(21)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,4,3,5,18,22,7,8,10,2,6,17,9,15,12,11,14,16,13/E:(3,4)(8,9)/rA:22nCCCCCCCCCCNCSNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2246 |
Area: | 522.646 |
Solvation: | -2.84154 |
Coulombic: | -28.8797 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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