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Chemical ID: 7143011
Chemical ID:
7143011
Name [?]:
N-[4-[5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OCc4ccccc4Cl)S2
InChi [?]:
InChI=1/C25H20ClN3O3S/c1-16(30)27-19-8-10-20(11-9-19)28-25-29-24(31)23(33-25)14-17-6-12-21(13-7-17)32-15-18-4-2-3-5-22(18)26/h2-14H,15H2,1H3,(H,27,30)(H,28,29,31)
InChi Info:
AuxInfo=1/1/N:1,28,29,27,30,19,23,6,10,7,9,20,22,17,25,2,18,26,5,8,21,31,16,14,12,32,4,11,13,3,15,24,33/E:(6,7)(8,9)(10,11)(12,13)/rA:33nCCONCCCCCCNCNCOCCCCCCCCOCCCCCCCClS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;d27;s28;d29;d26s30;s31;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20ClN3O3S |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.7606 |
Area: | 722.97 |
Solvation: | -4.31366 |
Coulombic: | -57.8057 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.43 |
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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