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Chemical ID: 4360668
Chemical ID:
4360668
Name [?]:
4-methyl-N-[5-propyl-4-(p-tolyl)thiazol-2-yl]-benzamide
SMILES [?]:
CCCc1c(nc(s1)NC(=O)c2ccc(cc2)C)c3ccc(cc3)C
InChi [?]:
InChI=1/C21H22N2OS/c1-4-5-18-19(16-10-6-14(2)7-11-16)22-21(25-18)23-20(24)17-12-8-15(3)9-13-17/h6-13H,4-5H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,18,2,3,21,23,14,16,20,24,13,17,22,15,19,12,4,5,10,7,6,9,11,8/E:(6,7)(8,9)(10,11)(12,13)/rA:25nCCCCCNCSNCOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s5;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1426 |
Area: | 586.736 |
Solvation: | -2.52581 |
Coulombic: | -29.9932 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.38 |
LogP (Chemaxon): | 6.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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