Chemical ID: 5939870

CCN(CC)c1nc(cs1)c2ccc(cc2)NC(=O)c3ccc(cc3Cl)Cl
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

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Descriptor Annotations

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