Chemical ID: 6851684

CCOc1ccccc1C(=O)Nc2nc(cs2)c3ccccc3Cl
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

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