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Chemical ID: 6851684
Chemical ID:
6851684
Name [?]:
N-[4-(2-chlorophenyl)thiazol-2-yl]-2-ethoxy-benzamide
SMILES [?]:
CCOc1ccccc1C(=O)Nc2nc(cs2)c3ccccc3Cl
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-2-23-16-10-6-4-8-13(16)17(22)21-18-20-15(11-24-18)12-7-3-5-9-14(12)19/h3-11H,2H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,20,7,21,6,19,8,22,5,16,18,9,23,15,4,10,13,24,14,12,11,3,17/rA:24nCCOCCCCCCCONCNCCSCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O2S |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47152 |
Area: | 550.469 |
Solvation: | -4.2902 |
Coulombic: | -35.4672 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.79 |
LogP (Chemaxon): | 5.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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