Chemical ID: 4324070

c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)c3ccc(cc3)Br
Chemical ID:
4324070
Name [?]:
4-bromo-N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)Cc2cnc(s2)NC(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C17H12BrClN2OS/c18-13-6-4-12(5-7-13)16(22)21-17-20-10-15(23-17)9-11-2-1-3-14(19)8-11/h1-8,10H,9H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,22,19,21,4,8,10,3,17,20,5,9,15,12,23,7,11,14,16,13/E:(4,5)(6,7)/rA:23nCCCCCCClCCCNCSNCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12BrClN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.4033
Area:570.298
Solvation:-2.85414
Coulombic:-28.8517
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:407.713
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.36
LogP (Chemaxon):5.35

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