Chemical ID: 4368385

CC(C)(C)c1csc(n1)NC(=O)c2cccc(c2)Cl
Chemical ID:
4368385
Name [?]:
3-chloro-N-(4-tert-butylthiazol-2-yl)-benzamide
SMILES [?]:
CC(C)(C)c1csc(n1)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C14H15ClN2OS/c1-14(2,3)11-8-19-13(16-11)17-12(18)9-5-4-6-10(15)7-9/h4-8H,1-3H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,15,14,16,18,6,13,17,5,11,8,2,19,9,10,12,7/E:(1,2,3)/rA:19nCCCCCCSCNNCOCCCCCCCl/rB:s1;s2;s2;s2;d5;s6;s7;s5d8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.1863
Area:487.64
Solvation:-2.00471
Coulombic:-28.852
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.8
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.48
LogP (Chemaxon):4.91

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