Chemical ID: 5698712

Cc1cnc(s1)NC(=O)Cc2ccc(cc2)c3ccccc3
Chemical ID:
5698712
Name [?]:
N-(5-methylthiazol-2-yl)-2-(4-phenylphenyl)-acetamide
SMILES [?]:
Cc1cnc(s1)NC(=O)Cc2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C18H16N2OS/c1-13-12-19-18(22-13)20-17(21)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,12,16,13,15,10,3,2,11,17,14,8,5,4,7,9,6/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCNCSNCOCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.53789
Area:525.532
Solvation:-3.60041
Coulombic:-26.7372
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:3.17
LogP (Chemaxon):4.16

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