Chemical ID: 5664980

COc1cc(cc(c1OC)OC)C=C2C(=NC(=Nc3ccccc3Cl)S2)O
Chemical ID:
5664980
Name [?]:
2-(2-chlorophenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazol-4-ol
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=NC(=Nc3ccccc3Cl)S2)O
InChi [?]:
InChI=1/C19H17ClN2O4S/c1-24-14-8-11(9-15(25-2)17(14)26-3)10-16-18(23)22-19(27-16)21-13-7-5-4-6-12(13)20/h4-10H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,12,10,22,21,23,20,4,6,13,5,24,19,3,7,14,8,15,17,25,18,16,27,2,11,9,26/E:(1,2)(8,9)(14,15)(24,25)/rA:27nCOCCCCCCOCOCCCCNCNCCCCCCClSO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s16;w17;s18;s19;d20;s21;d22;d19s23;s24;s14s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.81409
Area:601.175
Solvation:-6.21528
Coulombic:-53.1494
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:404.868
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.36
LogP (Chemaxon):4.8

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Descriptor Annotations

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