Chemical ID: 4365310

CCCc1c(nc(s1)NC(=O)c2cccc(c2)Cl)c3ccc(cc3)C
Chemical ID:
4365310
Name [?]:
3-chloro-N-[5-propyl-4-(p-tolyl)thiazol-2-yl]-benzamide
SMILES [?]:
CCCc1c(nc(s1)NC(=O)c2cccc(c2)Cl)c3ccc(cc3)C
InChi [?]:
InChI=1/C20H19ClN2OS/c1-3-5-17-18(14-10-8-13(2)9-11-14)22-20(25-17)23-19(24)15-6-4-7-16(21)12-15/h4,6-12H,3,5H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,14,3,13,15,21,23,20,24,17,22,19,12,16,4,5,10,7,18,6,9,11,8/E:(8,9)(10,11)/rA:25nCCCCCNCSNCOCCCCCCClCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s5;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.3621
Area:596.874
Solvation:-2.55973
Coulombic:-30.0545
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.896
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.56
LogP (Chemaxon):6.29

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