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Chemical ID: 5381837
Chemical ID:
5381837
Name [?]:
2-chloro-N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-acetamide
SMILES [?]:
c1ccc(c(c1)Cc2cnc(s2)NC(=O)CCl)F
InChi [?]:
InChI=1/C12H10ClFN2OS/c13-6-11(17)16-12-15-7-9(18-12)5-8-3-1-2-4-10(8)14/h1-4,7H,5-6H2,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,16,9,5,8,4,14,11,17,18,10,13,15,12/rA:18nCCCCCCCCCNCSNCOCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10ClFN2OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.96901 |
Area: | 457.254 |
Solvation: | -4.46234 |
Coulombic: | -28.7943 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 284.738 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.63 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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