Chemical ID: 4324916

Cc1cccc(c1)Cc2cnc(s2)NC(=O)c3ccccc3
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue