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Chemical ID: 5160931
Chemical ID:
5160931
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ncc(s1)Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H15ClN2OS/c1-9(2)13(18)17-14-16-8-12(19-14)7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,14,18,15,17,12,9,2,13,16,10,4,7,19,8,6,5,11/E:(1,2)(3,4)(5,6)/rA:19nCCCCONCNCCSCCCCCCCCl/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s7s10;s10;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52853 |
Area: | 496.048 |
Solvation: | -2.87268 |
Coulombic: | -26.5829 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.8 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.4 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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