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Chemical ID: 7005225
Chemical ID:
7005225
Name [?]:
2,5-dichloro-N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-benzamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)c3cc(ccc3Cl)Cl)Cl
InChi [?]:
InChI=1/C17H11Cl3N2OS/c18-11-5-6-15(20)13(8-11)16(23)22-17-21-9-12(24-17)7-10-3-1-2-4-14(10)19/h1-6,8-9H,7H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,19,20,7,17,9,5,18,8,16,4,21,14,11,23,24,22,10,13,15,12/rA:24nCCCCCCCCCNCSNCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11Cl3N2OS |
All Atoms: | 35 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1543 |
Area: | 576.363 |
Solvation: | -3.25479 |
Coulombic: | -28.3087 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 397.706 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.81 |
LogP (Chemaxon): | 5.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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