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Chemical ID: 5616703
Chemical ID:
5616703
Name [?]:
N-[4-(3,4-dichlorophenyl)thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1nc(cs1)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C11H8Cl2N2OS/c1-6(16)14-11-15-10(5-17-11)7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,12,15,8,2,10,13,14,7,5,17,16,4,6,3,9/rA:17nCCONCNCCSCCCCCCClCl/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8Cl2N2OS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80925 |
Area: | 452.606 |
Solvation: | -2.50589 |
Coulombic: | -26.2468 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 287.165 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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