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Chemical ID: 7143407
Chemical ID:
7143407
Name [?]:
5-[(2-chloro-6-fluoro-phenyl)methylene]-2-(2-ethylphenyl)amino-thiazol-4-one
SMILES [?]:
CCc1ccccc1NC2=NC(=O)C(=Cc3c(cccc3Cl)F)S2
InChi [?]:
InChI=1/C18H14ClFN2OS/c1-2-11-6-3-4-9-15(11)21-18-22-17(23)16(24-18)10-12-13(19)7-5-8-14(12)20/h3-10H,2H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,19,4,20,18,7,15,3,16,21,17,8,14,12,10,22,23,9,11,13,24/rA:24nCCCCCCCCNCNCOCCCCCCCCClFS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s17;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClFN2OS |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1184 |
Area: | 544.606 |
Solvation: | -2.49674 |
Coulombic: | -34.6429 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 360.834 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.83 |
LogP (Chemaxon): | 5.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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