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Chemical ID: 7143281
Chemical ID:
7143281
Name [?]:
5-[(4-bromophenyl)methylene]-2-(2-ethylphenyl)amino-thiazol-4-one
SMILES [?]:
CCc1ccccc1NC2=NC(=O)C(=Cc3ccc(cc3)Br)S2
InChi [?]:
InChI=1/C18H15BrN2OS/c1-2-13-5-3-4-6-15(13)20-18-21-17(22)16(23-18)11-12-7-9-14(19)10-8-12/h3-11H,2H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,7,17,21,18,20,15,16,3,19,8,14,12,10,22,9,11,13,23/E:(7,8)(9,10)/rA:23nCCCCCCCCNCNCOCCCCCCCCBrS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15BrN2OS |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.7559 |
Area: | 539.287 |
Solvation: | -1.72631 |
Coulombic: | -31.4313 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.84 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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