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Chemical ID: 5642298
Chemical ID:
5642298
Name [?]:
N-[4-(2-benzamidothiazol-4-yl)phenyl]-4-chloro-benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C23H16ClN3O2S/c24-18-10-6-17(7-11-18)21(28)25-19-12-8-15(9-13-19)20-14-30-23(26-20)27-22(29)16-4-2-1-3-5-16/h1-14H,(H,25,28)(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,25,29,16,20,26,28,17,19,13,15,4,24,27,18,12,22,7,10,30,21,11,9,23,8,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCCCCONCNCCSCCCCCCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16ClN3O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3128 |
Area: | 671.882 |
Solvation: | -3.48427 |
Coulombic: | -51.595 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 433.911 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.42 |
LogP (Chemaxon): | 6.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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