Chemical ID: 7143281

CCc1ccccc1NC2=NC(=O)C(=Cc3ccc(cc3)Br)S2
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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Descriptor Annotations

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