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Chemical ID: 4368385
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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