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Chemical ID: 6216595
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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