Chemical ID: 6263474

CC(C)(C)c1ccc(cc1)C(=O)Nc2nc(cs2)c3cccnc3
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

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