Chemical ID: 4324521

Cc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl
Chemical ID:
4324521
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2OS/c1-12-2-6-14(7-3-12)17(22)21-18-20-11-16(23-18)10-13-4-8-15(19)9-5-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,7,18,22,4,6,19,21,16,13,2,17,5,20,14,8,11,23,12,10,9,15/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCCCCCCCONCNCCSCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.0987
Area:559.121
Solvation:-2.87932
Coulombic:-28.9958
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.843
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.0
LogP (Chemaxon):5.03

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