Chemical ID: 4229665

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3ccccc3Cl)C
Chemical ID:
4229665
Name [?]:
2-chloro-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3ccccc3Cl)C
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-3-24-14-10-8-13(9-11-14)17-12(2)25-19(21-17)22-18(23)15-6-4-5-7-16(15)20/h4-11H,3H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,20,21,19,22,6,8,5,9,11,7,4,18,23,10,16,13,24,14,15,17,3,12/E:(8,9)(10,11)/rA:25nCCOCCCCCCCCSCNNCOCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7556
Area:577.234
Solvation:-3.67523
Coulombic:-36.2212
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.869
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.64
LogP (Chemaxon):5.05

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