Chemical ID: 4301114

c1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
Chemical ID:
4301114
Name [?]:
N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C17H12Cl2N2OS/c18-14-7-6-11(9-15(14)19)8-13-10-20-17(23-13)21-16(22)12-4-2-1-3-5-12/h1-7,9-10H,8H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,18,15,21,12,16,4,13,19,20,7,10,23,22,11,9,8,14/E:(2,3)(4,5)/rA:23nCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;s10s13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2N2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.2576
Area:568.333
Solvation:-2.9507
Coulombic:-29.3205
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:363.261
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.19
LogP (Chemaxon):5.08

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