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Chemical ID: 4365310
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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