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Chemical ID: 4152633
Chemical ID:
4152633
Name [?]:
2,4,6-trimethyl-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-benzamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)c3c(cc(cc3C)C)C)C
InChi [?]:
InChI=1/C21H22N2OS/c1-12-6-8-17(9-7-12)19-16(5)25-21(22-19)23-20(24)18-14(3)10-13(2)11-15(18)4/h6-11H,1-5H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,25,3,7,4,6,20,18,2,19,21,17,9,5,16,8,14,11,12,13,15,10/E:(3,4)(6,7)(8,9)(10,11)(14,15)/rA:25nCCCCCCCCCSCNNCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s19;s17;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2744 |
Area: | 572.299 |
Solvation: | -2.03311 |
Coulombic: | -29.8094 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 350.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.43 |
LogP (Chemaxon): | 6.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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