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Chemical ID: 6263474
Chemical ID:
6263474
Name [?]:
N-[4-(3-pyridyl)thiazol-2-yl]-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Nc2nc(cs2)c3cccnc3
InChi [?]:
InChI=1/C19H19N3OS/c1-19(2,3)15-8-6-13(7-9-15)17(23)22-18-21-16(12-24-18)14-5-4-10-20-11-14/h4-12H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,20,7,9,6,10,22,24,17,8,19,5,16,11,14,2,23,15,13,12,18/E:(1,2,3)(6,7)(8,9)/rA:24nCCCCCCCCCCCONCNCCSCCCCNC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0536 |
Area: | 553.729 |
Solvation: | -2.78966 |
Coulombic: | -33.5588 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.44 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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