Chemical ID: 5749968

CCOc1cc(ccc1O)C=C2C(=NC(=Nc3cc(cc(c3)Cl)Cl)S2)O
Chemical ID:
5749968
Name [?]:
2-(3,5-dichlorophenyl)imino-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]thiazol-4-ol
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=NC(=Nc3cc(cc(c3)Cl)Cl)S2)O
InChi [?]:
InChI=1/C18H14Cl2N2O3S/c1-2-25-15-5-10(3-4-14(15)23)6-16-17(24)22-18(26-16)21-13-8-11(19)7-12(20)9-13/h3-9,23H,2H2,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,5,11,20,18,22,6,19,21,17,9,4,12,13,15,24,23,16,14,10,26,3,25/E:(8,9)(11,12)(19,20)/rA:26nCCOCCCCCCOCCCNCNCCCCCCClClSO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s19;s12s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2281
Area:616.306
Solvation:-4.17959
Coulombic:-54.4471
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:409.287
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.57
LogP (Chemaxon):5.88

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