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Chemical ID: 7143291
Chemical ID:
7143291
Name [?]:
N-[4-[5-[(4-hydroxy-3-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
InChi [?]:
InChI=1/C19H17N3O4S/c1-11(23)20-13-4-6-14(7-5-13)21-19-22-18(25)17(27-19)10-12-3-8-15(24)16(9-12)26-2/h3-10,24H,1-2H3,(H,20,23)(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,25,19,6,10,7,9,20,23,17,2,18,5,8,21,22,16,14,12,4,11,13,3,26,15,24,27/E:(4,5)(6,7)/rA:27nCCONCCCCCCNCNCOCCCCCCCCOCOS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O4S |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.11808 |
Area: | 598.621 |
Solvation: | -5.84745 |
Coulombic: | -70.2992 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.69 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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