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Chemical ID: 5737490
Chemical ID:
5737490
Name [?]:
2-(4-chlorophenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazol-4-ol
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=NC(=Nc3ccc(cc3)Cl)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)21-13-6-4-12(20)5-7-13/h4-10H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,12,10,21,23,20,24,4,6,13,5,22,19,3,7,14,8,15,17,25,18,16,27,2,11,9,26/E:(1,2)(4,5)(6,7)(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;s22;s14s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.88343 |
Area: | 603.447 |
Solvation: | -6.20275 |
Coulombic: | -52.6952 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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