Chemical ID: 5647635

Cc1cccc(c1)C(=O)Nc2nc(c(s2)C)c3ccccc3
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

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Descriptor Annotations

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