Chemical ID: 6216595

c1cc(cc(c1)NC(=O)c2cccc(c2)Cl)c3csc(n3)NC(=O)c4cccc(c4)Cl
Chemical ID:
6216595
Name [?]:
3-chloro-N-[3-[2-(3-chlorobenzoyl)aminothiazol-4-yl]phenyl]-benzamide
SMILES [?]:
c1cc(cc(c1)NC(=O)c2cccc(c2)Cl)c3csc(n3)NC(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C23H15Cl2N3O2S/c24-17-7-1-5-15(10-17)21(29)26-19-9-3-4-14(12-19)20-13-31-23(27-20)28-22(30)16-6-2-8-18(25)11-16/h1-13H,(H,26,29)(H,27,28,30)
InChi Info:
AuxInfo=1/1/N:12,27,1,2,11,26,13,28,6,15,30,4,18,3,10,25,14,29,5,17,8,23,20,16,31,7,21,22,9,24,19/rA:31nCCCCCCNCOCCCCCCClCCSCNNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s3;d17;s18;s19;s17d20;s20;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H15Cl2N3O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.9373
Area:702.999
Solvation:-3.6377
Coulombic:-51.247
Bond Count [?]
All:34
Single:21
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:468.356
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:6.04
LogP (Chemaxon):6.54

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