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Chemical ID: 5939987
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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