Chemical ID: 5939987

CCNc1nc(cs1)c2cccc(c2)NC(=O)c3cc(cc(c3)Cl)Cl
Chemical ID:
5939987
Name [?]:
3,5-dichloro-N-[3-(2-ethylaminothiazol-4-yl)phenyl]-benzamide
SMILES [?]:
CCNc1nc(cs1)c2cccc(c2)NC(=O)c3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C18H15Cl2N3OS/c1-2-21-18-23-16(10-25-18)11-4-3-5-15(8-11)22-17(24)12-6-13(19)9-14(20)7-12/h3-10H,2H2,1H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,19,23,14,21,7,9,18,20,22,13,6,16,4,25,24,3,15,5,17,8/E:(6,7)(13,14)(19,20)/rA:25nCCNCNCCSCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;d10;s11;d12;d9s13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15Cl2N3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.5827
Area:614.914
Solvation:-2.79019
Coulombic:-40.676
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:392.303
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.14
LogP (Chemaxon):5.4

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Descriptor Annotations

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