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Chemical ID: 5939870
Chemical ID:
5939870
Name [?]:
2,4-dichloro-N-[4-(2-diethylaminothiazol-4-yl)phenyl]-benzamide
SMILES [?]:
CCN(CC)c1nc(cs1)c2ccc(cc2)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C20H19Cl2N3OS/c1-3-25(4-2)20-24-18(12-27-20)13-5-8-15(9-6-13)23-19(26)16-10-7-14(21)11-17(16)22/h5-12H,3-4H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,16,22,13,15,21,24,9,11,23,14,20,25,8,18,6,27,26,17,7,3,19,10/E:(1,2)(3,4)(5,6)(8,9)/rA:27nCCNCCCNCCSCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;s4;s3;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19Cl2N3OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0639 |
Area: | 641.841 |
Solvation: | -2.98213 |
Coulombic: | -35.7345 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 420.356 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.13 |
LogP (Chemaxon): | 6.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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