Chemical ID: 4598397

c1ccc(cc1)CC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl
Chemical ID:
4598397
Name [?]:
N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)Nc2ncc(s2)Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H15ClN2OS/c19-15-8-4-7-14(9-15)10-16-12-20-18(23-16)21-17(22)11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,18,20,22,16,7,13,4,17,21,14,8,11,23,12,10,9,15/E:(2,3)(5,6)/rA:23nCCCCCCCCONCNCCSCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.3657
Area:559.605
Solvation:-3.62445
Coulombic:-27.2375
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:342.843
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.38
LogP (Chemaxon):4.68

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