Chemical ID: 5720027

CCOc1ccc(cc1OC)C=C2C(=NC(=Nc3ccccc3Br)S2)O
Chemical ID:
5720027
Name [?]:
2-(2-bromophenyl)imino-5-[(4-ethoxy-3-methoxy-phenyl)methylene]thiazol-4-ol
SMILES [?]:
CCOc1ccc(cc1OC)C=C2C(=NC(=Nc3ccccc3Br)S2)O
InChi [?]:
InChI=1/C19H17BrN2O3S/c1-3-25-15-9-8-12(10-16(15)24-2)11-17-18(23)22-19(26-17)21-14-7-5-4-6-13(14)20/h4-11H,3H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,11,2,21,20,22,19,6,5,8,12,7,23,18,4,9,13,14,16,24,17,15,26,10,3,25/rA:26nCCOCCCCCCOCCCCNCNCCCCCCBrSO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s13s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17BrN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.85078
Area:596.288
Solvation:-5.05641
Coulombic:-45.638
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:433.32
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.18
LogP (Chemaxon):5.67

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